1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H27NO2 — CID 55056603

IUPAC1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-16(13-8-4-2-5-9-13)12-15(14(17)18)10-6-3-7-11-15/h13H,2-12H2,1H3,(H,17,18)
InChIKeyXQKLOKYSVSTJJV-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.29
Rot. Bonds4

About 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 55056603) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID55056603
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-16(13-8-4-2-5-9-13)12-15(14(17)18)10-6-3-7-11-15/h13H,2-12H2,1H3,(H,17,18)
InChIKeyXQKLOKYSVSTJJV-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic 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

4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
CID 62390479
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate
CID 115247275
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271036
1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437222
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid
CID 55242439
1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62975203
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63712173
1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61448226
N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184029

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 55056603) is 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid is CN(CC1(C(=O)O)CCCCC1)C1CCCCC1.
What is the InChIKey of 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is XQKLOKYSVSTJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-16(13-8-4-2-5-9-13)12-15(14(17)18)10-6-3-7-11-15/h13H,2-12H2,1H3,(H,17,18).
What are the key properties of 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55056603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).