3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid

C15H28N2O2 — CID 79641441

IUPAC3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC(N(C)CC2CCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-16-15(14(18)19)9-5-8-13(10-15)17(2)11-12-6-3-4-7-12/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyQPBIYJFIKWIGDF-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds5

About 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid

3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid (PubChem CID 79641441) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
PubChem CID79641441
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC(N(C)CC2CCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-16-15(14(18)19)9-5-8-13(10-15)17(2)11-12-6-3-4-7-12/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyQPBIYJFIKWIGDF-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651710
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641939
methyl 3-[cyclohexylmethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79650899
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79647676
3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636692
1-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404
3-[cyclopropylmethyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79641470
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636451
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79627505
methyl 3-[cyclobutylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 107401088
3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79644944
methyl 3-[cyclobutylmethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79651691

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid (CID 79641441) is 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid is CNC1(C(=O)O)CCCC(N(C)CC2CCCC2)C1.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid?
The InChIKey is QPBIYJFIKWIGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-15(14(18)19)9-5-8-13(10-15)17(2)11-12-6-3-4-7-12/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid?
3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79641441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).