1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one

C12H21NO — CID 106655273

IUPAC1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-3-13-9-10(2)12(14)11-7-5-4-6-8-11/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyARFJAEWGRITREO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.30
Rot. Bonds5

About 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one

1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one (PubChem CID 106655273) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
PubChem CID106655273
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-3-13-9-10(2)12(14)11-7-5-4-6-8-11/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyARFJAEWGRITREO-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one
CID 106655363
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040
1-(cyclopenten-1-yl)-2,2-diethoxyethanone
CID 55269182
1-(cycloocten-1-yl)-2-methoxypentan-1-one
CID 106652220
1-(cyclohexen-1-yl)-2-ethoxypentan-1-one
CID 106652219
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one
CID 62078829

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one (CID 106655273) is 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one is CCNCC(C)C(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one?
The InChIKey is ARFJAEWGRITREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-13-9-10(2)12(14)11-7-5-4-6-8-11/h7,10,13H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one?
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 106655273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).