1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone

C12H21NO — CID 116589884

IUPAC1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1CCC(C)CC1
InChIInChI=1S/C12H21NO/c1-3-8-13-9-12(14)11-6-4-10(2)5-7-11/h3,10-11,13H,1,4-9H2,2H3
InChIKeyBJZZHZLSEPRNKP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.16
Rot. Bonds5

About 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone

1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone (PubChem CID 116589884) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone
PubChem CID116589884
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1CCC(C)CC1
InChIInChI=1S/C12H21NO/c1-3-8-13-9-12(14)11-6-4-10(2)5-7-11/h3,10-11,13H,1,4-9H2,2H3
InChIKeyBJZZHZLSEPRNKP-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(prop-2-enylamino)acetamide
CID 28563506
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
CID 78908844
N-cyclooctyl-2-(prop-2-enylamino)acetamide
CID 78908315
N-(2-methoxycyclopentyl)-2-(prop-2-enylamino)acetamide
CID 79277800
3-methyl-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 102780415
2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(prop-2-enylamino)ethanone
CID 102932694
1-(3-methylcyclopentyl)pent-4-en-1-one
CID 65403175
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine
CID 62556852
N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
CID 79277849
N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide
CID 112723968

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone (CID 116589884) is 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)C1CCC(C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone?
The InChIKey is BJZZHZLSEPRNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-8-13-9-12(14)11-6-4-10(2)5-7-11/h3,10-11,13H,1,4-9H2,2H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone?
1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 116589884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).