2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid

C13H25NO2 — CID 83040975

IUPAC2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C)C1CCCC(C)C1
InChIInChI=1S/C13H25NO2/c1-4-6-12(13(15)16)14(3)11-8-5-7-10(2)9-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyIWAMNBTWKIXGGT-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds5

About 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid

2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid (PubChem CID 83040975) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
PubChem CID83040975
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C)C1CCCC(C)C1
InChIInChI=1S/C13H25NO2/c1-4-6-12(13(15)16)14(3)11-8-5-7-10(2)9-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyIWAMNBTWKIXGGT-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide
CID 63584513
2-methyl-3-[methyl-(3-methylcyclohexyl)amino]butanoic acid
CID 79407617
2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid
CID 83049954
2-amino-N-methyl-N-(3-methylcyclohexyl)pentanamide;hydrochloride
CID 119285987
2-[cyclohexyl(ethyl)amino]pentanoic acid
CID 83040857
2-N-methyl-2-N-(3-methylcyclohexyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 83054287
4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
CID 64692953
(2S)-2-hydroxy-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 114007276
2-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 80541792
2-[cyclopentyl(2-methylpropyl)amino]pentanoic acid
CID 83048898
2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid
CID 61446146
2-[[(3-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 65223457

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid (CID 83040975) is 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid is CCCC(C(=O)O)N(C)C1CCCC(C)C1.
What is the InChIKey of 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid?
The InChIKey is IWAMNBTWKIXGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-12(13(15)16)14(3)11-8-5-7-10(2)9-11/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid?
2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 83040975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).