6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid

C15H28N2O3 — CID 115441822

IUPAC6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid
SMILESCC1CCC(CN)(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12-6-8-15(11-16,9-7-12)14(20)17-10-4-2-3-5-13(18)19/h12H,2-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyCWDIBCMAMLRBMO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.90
Rot. Bonds8

About 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid

6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid (PubChem CID 115441822) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid
PubChem CID115441822
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid
SMILESCC1CCC(CN)(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12-6-8-15(11-16,9-7-12)14(20)17-10-4-2-3-5-13(18)19/h12H,2-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyCWDIBCMAMLRBMO-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid 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

7-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]heptanoic acid
CID 115441839
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-(aminomethyl)-N-[4-(dimethylamino)butyl]-4-methylcyclohexane-1-carboxamide
CID 115442031
1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106222021
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide
CID 115442026
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
(2S)-3-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-hydroxypropanoic acid
CID 107835899
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide
CID 106427662

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid (CID 115441822) is 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid is CC1CCC(CN)(C(=O)NCCCCCC(=O)O)CC1.
What is the InChIKey of 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid?
The InChIKey is CWDIBCMAMLRBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-6-8-15(11-16,9-7-12)14(20)17-10-4-2-3-5-13(18)19/h12H,2-11,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid?
6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid is sourced from PubChem (CID 115441822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).