1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone

C13H25NO — CID 104749987

IUPAC1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone
SMILESCCN(CC(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C13H25NO/c1-4-14(11(2)3)10-13(15)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyFWKVCSHLSTWAKK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds5

About 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone

1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone (PubChem CID 104749987) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone
PubChem CID104749987
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone
SMILESCCN(CC(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C13H25NO/c1-4-14(11(2)3)10-13(15)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyFWKVCSHLSTWAKK-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-((Dimethylamino)methyl)cyclohexanone
CID 85838
N,N,N-trimethyl(2-oxocyclohexyl)methanaminium
CID 359484
2-(1-Methylpyrrolidin-2-yl)cyclohexan-1-one
CID 71683276
2-[(Diethylamino)methyl]cyclohexanone
CID 415449
(3S)-4-cyclohexyl-3-(methylamino)butan-2-one
CID 59960224
2-(3,5-Dimethylpiperidin-1-yl)cyclohexan-1-one
CID 43794282
2-(Dimethylamino)-1-(4-fluorocyclohexyl)ethanone
CID 145817772
2-(Dimethylamino)-1-(4-fluorocyclohexyl)-2-methylpropan-1-one
CID 145817775
2-(Dimethylamino)-1-(4-fluorocyclohexyl)-3-methylbutan-1-one
CID 145817776
(2S)-1-(4,4-difluorocyclohexyl)-4-methyl-2-[propan-2-yl(propyl)amino]pentan-3-one
CID 171576079
1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]-2,2-dimethylpropan-1-one
CID 102008576
(1S,6R,8R)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 130753076

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone (CID 104749987) is 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone is CCN(CC(=O)C1CCCCC1)C(C)C.
What is the InChIKey of 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone?
The InChIKey is FWKVCSHLSTWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-14(11(2)3)10-13(15)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone?
1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone has a molecular weight of 211.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 104749987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).