6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid

C15H29NO2 — CID 65289656

IUPAC6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC1CC(C)CC(C)C1)CCC(=O)O
InChIInChI=1S/C15H29NO2/c1-11(4-5-15(17)18)6-7-16-14-9-12(2)8-13(3)10-14/h11-14,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyWUHGYAYQKZSCKG-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.29
Rot. Bonds7

About 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid

6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid (PubChem CID 65289656) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid
PubChem CID65289656
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC1CC(C)CC(C)C1)CCC(=O)O
InChIInChI=1S/C15H29NO2/c1-11(4-5-15(17)18)6-7-16-14-9-12(2)8-13(3)10-14/h11-14,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyWUHGYAYQKZSCKG-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid (CID 65289656) is 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid is CC(CCNC1CC(C)CC(C)C1)CCC(=O)O.
What is the InChIKey of 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid?
The InChIKey is WUHGYAYQKZSCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(4-5-15(17)18)6-7-16-14-9-12(2)8-13(3)10-14/h11-14,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid?
6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 65289656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).