1-(3-methylcyclohexyl)-2-(propylamino)ethanone

C12H23NO — CID 116562801

IUPAC1-(3-methylcyclohexyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)C1CCCC(C)C1
InChIInChI=1S/C12H23NO/c1-3-7-13-9-12(14)11-6-4-5-10(2)8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyWMSITUGGWXSHJT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-methylcyclohexyl)-2-(propylamino)ethanone

1-(3-methylcyclohexyl)-2-(propylamino)ethanone (PubChem CID 116562801) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-2-(propylamino)ethanone
PubChem CID116562801
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3-methylcyclohexyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)C1CCCC(C)C1
InChIInChI=1S/C12H23NO/c1-3-7-13-9-12(14)11-6-4-5-10(2)8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyWMSITUGGWXSHJT-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylcyclohexyl)-2-(propylamino)ethanone 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-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone
CID 116588854
2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone
CID 116562629
3-methyl-2-[(3-methylcyclohexyl)methylidene]-N-propylbutan-1-amine
CID 113247518
(3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587762
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409929
2-butan-2-ylsulfanyl-1-(3-methylcyclohexyl)ethanone
CID 65136343
2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one
CID 116566074

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-2-(propylamino)ethanone?
The IUPAC name of 1-(3-methylcyclohexyl)-2-(propylamino)ethanone (CID 116562801) is 1-(3-methylcyclohexyl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(3-methylcyclohexyl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(3-methylcyclohexyl)-2-(propylamino)ethanone is CCCNCC(=O)C1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-2-(propylamino)ethanone?
The InChIKey is WMSITUGGWXSHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-13-9-12(14)11-6-4-5-10(2)8-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)-2-(propylamino)ethanone?
1-(3-methylcyclohexyl)-2-(propylamino)ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-2-(propylamino)ethanone is sourced from PubChem (CID 116562801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).