4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide

C13H26N2O2 — CID 113499950

IUPAC4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C13H26N2O2/c1-9-8-11(4-5-12(9)14)13(17)15(3)7-6-10(2)16/h9-12,16H,4-8,14H2,1-3H3
InChIKeyMIOWGKITCUDICU-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.98
Rot. Bonds4

About 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide

4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide (PubChem CID 113499950) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide
PubChem CID113499950
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C13H26N2O2/c1-9-8-11(4-5-12(9)14)13(17)15(3)7-6-10(2)16/h9-12,16H,4-8,14H2,1-3H3
InChIKeyMIOWGKITCUDICU-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide 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 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide (CID 113499950) is 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide is CC(O)CCN(C)C(=O)C1CCC(N)C(C)C1.
What is the InChIKey of 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is MIOWGKITCUDICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9-8-11(4-5-12(9)14)13(17)15(3)7-6-10(2)16/h9-12,16H,4-8,14H2,1-3H3.
What are the key properties of 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide?
4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 113499950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).