1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine

C18H36N8 — CID 158684946

IUPAC1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine
SMILES[H]/N=C(\CC#N)CCCCCCC/N=C(\N)N/C(N)=N/CCCCCCN
InChIInChI=1S/C18H36N8/c19-12-7-3-5-9-15-25-18(23)26-17(22)24-14-8-4-1-2-6-10-16(21)11-13-20/h21H,1-12,14-15,19H2,(H5,22,23,24,25,26)/b21-16-
InChIKeyNHQLZLVTFCDFNA-PGMHBOJBSA-N
MW364.54 g/mol
LogP2.00
Rot. Bonds15

About 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine

1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine (PubChem CID 158684946) has the molecular formula C18H36N8 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine.

Molecular Properties

Compound Name1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine
PubChem CID158684946
Molecular FormulaC18H36N8
Molecular Weight364.54 g/mol
Exact Mass364.31
IUPAC Name1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine
SMILES[H]/N=C(\CC#N)CCCCCCC/N=C(\N)N/C(N)=N/CCCCCCN
InChIInChI=1S/C18H36N8/c19-12-7-3-5-9-15-25-18(23)26-17(22)24-14-8-4-1-2-6-10-16(21)11-13-20/h21H,1-12,14-15,19H2,(H5,22,23,24,25,26)/b21-16-
InChIKeyNHQLZLVTFCDFNA-PGMHBOJBSA-N
XLogP2.00
TPSA162.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
CID 150669227
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
2-[6-imino-11-(methylamino)undecyl]guanidine
CID 58076497
1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine
CID 176524346
disodium;bis(4-chloroaniline);4-(4-chlorophenyl)-3-iminobutanenitrile;1-(4-chlorophenyl)octane-2,4-diimine;bis(dicyanoazanide);1-isocyano-2-propylguanidine;bis(propan-1-amine)
CID 164997375
heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine
CID 155716609

Frequently Asked Questions

What is the IUPAC name of 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine?
The IUPAC name of 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine (CID 158684946) is 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine.
What is the SMILES notation for 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine?
The canonical SMILES for 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine is [H]/N=C(\CC#N)CCCCCCC/N=C(\N)N/C(N)=N/CCCCCCN.
What is the InChIKey of 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine?
The InChIKey is NHQLZLVTFCDFNA-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H36N8/c19-12-7-3-5-9-15-25-18(23)26-17(22)24-14-8-4-1-2-6-10-16(21)11-13-20/h21H,1-12,14-15,19H2,(H5,22,23,24,25,26)/b21-16-.
What are the key properties of 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine?
1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine has a molecular weight of 364.54 g/mol, XLogP of 2.00, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine is sourced from PubChem (CID 158684946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).