1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H27NO2 — CID 55055794

IUPAC1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCN(CC1CC1)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H27NO2/c1-2-10-16(11-13-6-7-13)12-15(14(17)18)8-4-3-5-9-15/h13H,2-12H2,1H3,(H,17,18)
InChIKeyHWUCPKUIUBMRNQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds7

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

1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 55055794) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID55055794
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCN(CC1CC1)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H27NO2/c1-2-10-16(11-13-6-7-13)12-15(14(17)18)8-4-3-5-9-15/h13H,2-12H2,1H3,(H,17,18)
InChIKeyHWUCPKUIUBMRNQ-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[cyclopropylmethyl(propyl)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

1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine
CID 61443301
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63712173
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63711312
4-[cyclopropylmethyl(propyl)amino]butanoic acid
CID 61441614
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739
[3-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-3-yl]methanol
CID 62270932
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 55055794) is 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid is CCCN(CC1CC1)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is HWUCPKUIUBMRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-10-16(11-13-6-7-13)12-15(14(17)18)8-4-3-5-9-15/h13H,2-12H2,1H3,(H,17,18).
What are the key properties of 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55055794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).