1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride

C10H22ClN3O — CID 130677550

IUPAC1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCC(N)(C(=O)NCCN)CC1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-8-2-4-10(12,5-3-8)9(14)13-7-6-11;/h8H,2-7,11-12H2,1H3,(H,13,14);1H
InChIKeyURVWTTXWLJFAFC-UHFFFAOYSA-N
MW235.76 g/mol
LogP0.39
Rot. Bonds3

About 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride

1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 130677550) has the molecular formula C10H22ClN3O and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID130677550
Molecular FormulaC10H22ClN3O
Molecular Weight235.76 g/mol
Exact Mass235.15
IUPAC Name1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCC(N)(C(=O)NCCN)CC1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-8-2-4-10(12,5-3-8)9(14)13-7-6-11;/h8H,2-7,11-12H2,1H3,(H,13,14);1H
InChIKeyURVWTTXWLJFAFC-UHFFFAOYSA-N
XLogP0.39
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride 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

1-amino-N-(2-aminoethyl)cyclopropane-1-carboxamide
CID 65466649
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388
1-(aminomethyl)-N-[4-(dimethylamino)butyl]-4-methylcyclohexane-1-carboxamide
CID 115442031
1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520
1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide
CID 113310530
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442649
6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 115441822
1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide
CID 115442026
7-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]heptanoic acid
CID 115441839

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride (CID 130677550) is 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride is CC1CCC(N)(C(=O)NCCN)CC1.Cl.
What is the InChIKey of 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is URVWTTXWLJFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.ClH/c1-8-2-4-10(12,5-3-8)9(14)13-7-6-11;/h8H,2-7,11-12H2,1H3,(H,13,14);1H.
What are the key properties of 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 130677550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).