3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid

C15H28N2O2 — CID 79636692

IUPAC3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
SMILESCCN(C1CCCC1)C1CCCC(NC)(C(=O)O)C1
InChIInChI=1S/C15H28N2O2/c1-3-17(12-7-4-5-8-12)13-9-6-10-15(11-13,16-2)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyCCHMRKYDLJKPBI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.24
Rot. Bonds5

About 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid

3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid (PubChem CID 79636692) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
PubChem CID79636692
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
SMILESCCN(C1CCCC1)C1CCCC(NC)(C(=O)O)C1
InChIInChI=1S/C15H28N2O2/c1-3-17(12-7-4-5-8-12)13-9-6-10-15(11-13,16-2)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyCCHMRKYDLJKPBI-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79636606
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636451
3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79641441
1-amino-3-[cyclopropyl(ethyl)amino]cyclohexane-1-carboxylic acid
CID 79636761
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79627505
1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79635921
ethyl 3-[butyl(cyclopropyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627138
3-[cyclopentyl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79655119
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79626339
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
3-[cyclopropyl(cyclopropylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79633832

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid (CID 79636692) is 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid is CCN(C1CCCC1)C1CCCC(NC)(C(=O)O)C1.
What is the InChIKey of 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid?
The InChIKey is CCHMRKYDLJKPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-17(12-7-4-5-8-12)13-9-6-10-15(11-13,16-2)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid?
3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79636692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).