3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide

C12H24N2O2 — CID 65116289

IUPAC3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
SMILESCC1CCC(O)(CNCC(C)C(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-9-3-5-12(16,6-4-9)8-14-7-10(2)11(13)15/h9-10,14,16H,3-8H2,1-2H3,(H2,13,15)
InChIKeyZNNUCYRTJHNWFH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds5

About 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide

3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide (PubChem CID 65116289) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
PubChem CID65116289
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
SMILESCC1CCC(O)(CNCC(C)C(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-9-3-5-12(16,6-4-9)8-14-7-10(2)11(13)15/h9-10,14,16H,3-8H2,1-2H3,(H2,13,15)
InChIKeyZNNUCYRTJHNWFH-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide 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-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide?
The IUPAC name of 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide (CID 65116289) is 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide.
What is the SMILES notation for 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide?
The canonical SMILES for 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide is CC1CCC(O)(CNCC(C)C(N)=O)CC1.
What is the InChIKey of 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide?
The InChIKey is ZNNUCYRTJHNWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-3-5-12(16,6-4-9)8-14-7-10(2)11(13)15/h9-10,14,16H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide?
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide is sourced from PubChem (CID 65116289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).