2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid

C14H27NO2 — CID 64728456

IUPAC2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC1CC(C)CC(C)C1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-5-6-14(4,13(16)17)15-12-8-10(2)7-11(3)9-12/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyPGNJHWPEQKCKLG-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.04
Rot. Bonds5

About 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid

2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid (PubChem CID 64728456) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
PubChem CID64728456
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC1CC(C)CC(C)C1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-5-6-14(4,13(16)17)15-12-8-10(2)7-11(3)9-12/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyPGNJHWPEQKCKLG-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid (CID 64728456) is 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid is CCCC(C)(NC1CC(C)CC(C)C1)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid?
The InChIKey is PGNJHWPEQKCKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-6-14(4,13(16)17)15-12-8-10(2)7-11(3)9-12/h10-12,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid?
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 64728456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).