2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide

C14H26N2O — CID 43087479

IUPAC2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CCCC(C)C1C
InChIInChI=1S/C14H26N2O/c1-5-9-15-14(17)12(4)16-13-8-6-7-10(2)11(13)3/h5,10-13,16H,1,6-9H2,2-4H3,(H,15,17)
InChIKeyGHQRALHIGWVOGY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.09
Rot. Bonds5

About 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide

2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide (PubChem CID 43087479) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
PubChem CID43087479
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CCCC(C)C1C
InChIInChI=1S/C14H26N2O/c1-5-9-15-14(17)12(4)16-13-8-6-7-10(2)11(13)3/h5,10-13,16H,1,6-9H2,2-4H3,(H,15,17)
InChIKeyGHQRALHIGWVOGY-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide 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-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
CID 43113278
(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11939503
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946761
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946763
2-[(3-methylsulfanylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 114123114
(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
CID 11939445
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 43085502
2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide
CID 115695289
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
CID 78908844
4-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 60809074
(2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide
CID 97097131

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide (CID 43087479) is 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC1CCCC(C)C1C.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is GHQRALHIGWVOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-9-15-14(17)12(4)16-13-8-6-7-10(2)11(13)3/h5,10-13,16H,1,6-9H2,2-4H3,(H,15,17).
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide?
2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide has a molecular weight of 238.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 43087479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).