1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid

C15H28N2O2 — CID 79654717

IUPAC1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(N(C)C2CCCCC2C)C1
InChIInChI=1S/C15H28N2O2/c1-11-6-4-5-7-13(11)17(3)12-8-9-15(10-12,16-2)14(18)19/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyNWLIJEYZGSYCQV-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds4

About 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid

1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 79654717) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
PubChem CID79654717
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(N(C)C2CCCCC2C)C1
InChIInChI=1S/C15H28N2O2/c1-11-6-4-5-7-13(11)17(3)12-8-9-15(10-12,16-2)14(18)19/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyNWLIJEYZGSYCQV-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79645904
3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79641441
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79627505
1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79635913
3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636692
1-(methylamino)-3-[methyl(pentan-3-yl)amino]cyclopentane-1-carboxylic acid
CID 79654676
3-[cyclopentyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655611
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636451
4-[cyclobutyl(methyl)carbamoyl]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 115151400
[3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634733
3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654044

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid (CID 79654717) is 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCC(N(C)C2CCCCC2C)C1.
What is the InChIKey of 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is NWLIJEYZGSYCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-6-4-5-7-13(11)17(3)12-8-9-15(10-12,16-2)14(18)19/h11-13,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid?
1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79654717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).