4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide

C11H23N3O — CID 79527493

IUPAC4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
SMILESNCCCNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C11H23N3O/c12-6-1-7-14-11(15)10-4-2-9(8-13)3-5-10/h9-10H,1-8,12-13H2,(H,14,15)
InChIKeyWCVWDHDZBIVOTL-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.22
Rot. Bonds5

About 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide (PubChem CID 79527493) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
PubChem CID79527493
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
SMILESNCCCNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C11H23N3O/c12-6-1-7-14-11(15)10-4-2-9(8-13)3-5-10/h9-10H,1-8,12-13H2,(H,14,15)
InChIKeyWCVWDHDZBIVOTL-UHFFFAOYSA-N
XLogP0.22
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide 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

4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide
CID 90126063
N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride
CID 119408489
4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 115151067
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 79526757
4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 104963837

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide (CID 79527493) is 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide is NCCCNC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide?
The InChIKey is WCVWDHDZBIVOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c12-6-1-7-14-11(15)10-4-2-9(8-13)3-5-10/h9-10H,1-8,12-13H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79527493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).