ISDA: 1H82

Structural Complex

Chemical ID: GZZ

IUPAC Name: N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE

Formal Charge: 0

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: C18 H41 N7

Molecular weight: 355.565

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 7

Rotatable Bonds: 18

Heavy Atoms: 25

Systematic name

Program	Version	Descriptor
ACDLabs	10.04	N,N'''-(iminodioctane-8,1-diyl)diguanidine
OpenEye OEToolkits	1.5.0	1-[8-(8-carbamimidamidooctylamino)octyl]guanidine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C(N)NCCCCCCCCNCCCCCCCCNC(=[N@H])N
SMILES_CANONICAL	CACTVS	3.341	NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N
SMILES	CACTVS	3.341	NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	[H]/N=C(/N)\NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(N)NCCCCCCCCNCCCCCCCCNC(=N[H])N
InChI	InChI	1.03	InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
InChIKey	InChI	1.03	RONFGUROBZGJKP-UHFFFAOYSA-N

Chemical Database Mapping