2-(1-cyclohexylethylamino)-3-methylbutanamide

C13H26N2O — CID 103729646

IUPAC2-(1-cyclohexylethylamino)-3-methylbutanamide
SMILESCC(C)C(NC(C)C1CCCCC1)C(N)=O
InChIInChI=1S/C13H26N2O/c1-9(2)12(13(14)16)15-10(3)11-7-5-4-6-8-11/h9-12,15H,4-8H2,1-3H3,(H2,14,16)
InChIKeyBCXZKQFEDAZBSE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.05
Rot. Bonds5

About 2-(1-cyclohexylethylamino)-3-methylbutanamide

2-(1-cyclohexylethylamino)-3-methylbutanamide (PubChem CID 103729646) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(1-cyclohexylethylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(1-cyclohexylethylamino)-3-methylbutanamide
PubChem CID103729646
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(1-cyclohexylethylamino)-3-methylbutanamide
SMILESCC(C)C(NC(C)C1CCCCC1)C(N)=O
InChIInChI=1S/C13H26N2O/c1-9(2)12(13(14)16)15-10(3)11-7-5-4-6-8-11/h9-12,15H,4-8H2,1-3H3,(H2,14,16)
InChIKeyBCXZKQFEDAZBSE-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-cyclohexylethylamino)-3-methylbutanamide 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

2-[1-(1-ethylpiperidin-4-yl)ethylamino]-3-methylbutanamide
CID 106344149
3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 103707651
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105
N-carbamoyl-2-(1-cyclohexylethylamino)propanamide
CID 62405397
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 81391633
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-carbamoyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394882
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
2-(cyclopentylcarbamoylamino)-3-methylbutanamide
CID 104858398
2-[[(1R)-1-cycloheptylethyl]amino]butanoic acid
CID 81392766
methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate
CID 99837528

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethylamino)-3-methylbutanamide?
The IUPAC name of 2-(1-cyclohexylethylamino)-3-methylbutanamide (CID 103729646) is 2-(1-cyclohexylethylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(1-cyclohexylethylamino)-3-methylbutanamide?
The canonical SMILES for 2-(1-cyclohexylethylamino)-3-methylbutanamide is CC(C)C(NC(C)C1CCCCC1)C(N)=O.
What is the InChIKey of 2-(1-cyclohexylethylamino)-3-methylbutanamide?
The InChIKey is BCXZKQFEDAZBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)12(13(14)16)15-10(3)11-7-5-4-6-8-11/h9-12,15H,4-8H2,1-3H3,(H2,14,16).
What are the key properties of 2-(1-cyclohexylethylamino)-3-methylbutanamide?
2-(1-cyclohexylethylamino)-3-methylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethylamino)-3-methylbutanamide is sourced from PubChem (CID 103729646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).