carbamimidoyl(octyl)azanium chloride

C9H22ClN3 — CID 86595494

IUPACcarbamimidoyl(octyl)azanium chloride
SMILES[Cl-].[H]/N=C(\N)[NH2+]CCCCCCCC
InChIInChI=1S/C9H21N3.ClH/c1-2-3-4-5-6-7-8-12-9(10)11;/h2-8H2,1H3,(H4,10,11,12);1H
InChIKeyDZONCCFWXXJBEF-UHFFFAOYSA-N
MW207.75 g/mol
LogP-2.19
Rot. Bonds7

About carbamimidoyl(octyl)azanium chloride

carbamimidoyl(octyl)azanium chloride (PubChem CID 86595494) has the molecular formula C9H22ClN3 and a molecular weight of 207.75 g/mol. Its IUPAC name is carbamimidoyl(octyl)azanium chloride.

Molecular Properties

Compound Namecarbamimidoyl(octyl)azanium chloride
PubChem CID86595494
Molecular FormulaC9H22ClN3
Molecular Weight207.75 g/mol
Exact Mass207.15
IUPAC Namecarbamimidoyl(octyl)azanium chloride
SMILES[Cl-].[H]/N=C(\N)[NH2+]CCCCCCCC
InChIInChI=1S/C9H21N3.ClH/c1-2-3-4-5-6-7-8-12-9(10)11;/h2-8H2,1H3,(H4,10,11,12);1H
InChIKeyDZONCCFWXXJBEF-UHFFFAOYSA-N
XLogP-2.19
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.75
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 carbamimidoyl(octyl)azanium chloride 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

(N'-carbamimidoylcarbamimidoyl)-hexylazanium chloride
CID 20976
carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride
CID 18790347
2,2-dimethyloctanimidamide
CID 58158153
butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895
butyl(dodecyl)azanium
CID 91941247
didodecylazanium fluoride
CID 87135434
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
undecane chloride
CID 19736895
1-amino-1-heptadecylguanidine
CID 141113274
1-amino-1-dodecylguanidine
CID 141286246

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl(octyl)azanium chloride?
The IUPAC name of carbamimidoyl(octyl)azanium chloride (CID 86595494) is carbamimidoyl(octyl)azanium chloride.
What is the SMILES notation for carbamimidoyl(octyl)azanium chloride?
The canonical SMILES for carbamimidoyl(octyl)azanium chloride is [Cl-].[H]/N=C(\N)[NH2+]CCCCCCCC.
What is the InChIKey of carbamimidoyl(octyl)azanium chloride?
The InChIKey is DZONCCFWXXJBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.ClH/c1-2-3-4-5-6-7-8-12-9(10)11;/h2-8H2,1H3,(H4,10,11,12);1H.
What are the key properties of carbamimidoyl(octyl)azanium chloride?
carbamimidoyl(octyl)azanium chloride has a molecular weight of 207.75 g/mol, XLogP of -2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl(octyl)azanium chloride is sourced from PubChem (CID 86595494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).