3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide

C14H28N2O2 — CID 66174277

IUPAC3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)8-14(3,18)9-16-13(17)11-5-4-6-12(15)7-11/h10-12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyZOEBCQWFGUGWAJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds5

About 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide

3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide (PubChem CID 66174277) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
PubChem CID66174277
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)8-14(3,18)9-16-13(17)11-5-4-6-12(15)7-11/h10-12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyZOEBCQWFGUGWAJ-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-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

Related Compounds

N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide
CID 66181259
3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830598
3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
CID 106291669
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 65223926
3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119812295
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119700662
2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 114458366
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide
CID 122080572

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide (CID 66174277) is 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide is CC(C)CC(C)(O)CNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide?
The InChIKey is ZOEBCQWFGUGWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)8-14(3,18)9-16-13(17)11-5-4-6-12(15)7-11/h10-12,18H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide?
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 66174277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).