3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide

C14H28N2O — CID 64742875

IUPAC3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC1CCC(C)C(C)C1
InChIInChI=1S/C14H28N2O/c1-10(2)16-14(17)7-8-15-13-6-5-11(3)12(4)9-13/h10-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyJPHQRUIJLSQGBV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.32
Rot. Bonds5

About 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide

3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide (PubChem CID 64742875) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide
PubChem CID64742875
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC1CCC(C)C(C)C1
InChIInChI=1S/C14H28N2O/c1-10(2)16-14(17)7-8-15-13-6-5-11(3)12(4)9-13/h10-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyJPHQRUIJLSQGBV-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide 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 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide (CID 64742875) is 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC1CCC(C)C(C)C1.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is JPHQRUIJLSQGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)16-14(17)7-8-15-13-6-5-11(3)12(4)9-13/h10-13,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide?
3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 64742875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).