1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one

C17H31NO — CID 106651997

IUPAC1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)C1=CCCCCC1
InChIInChI=1S/C17H31NO/c1-5-17(6-2,18(7-3)8-4)16(19)15-13-11-9-10-12-14-15/h13H,5-12,14H2,1-4H3
InChIKeyACBUVWCMIBHJTK-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.35
Rot. Bonds7

About 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one

1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one (PubChem CID 106651997) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one
PubChem CID106651997
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)C1=CCCCCC1
InChIInChI=1S/C17H31NO/c1-5-17(6-2,18(7-3)8-4)16(19)15-13-11-9-10-12-14-15/h13H,5-12,14H2,1-4H3
InChIKeyACBUVWCMIBHJTK-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloocten-1-yl)-2-(diethylamino)-2-methylbutan-1-one
CID 106651982
1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one
CID 106651828
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
CID 106652177
ethyl cycloundecene-1-carboxylate
CID 154164177
1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106655601
1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
CID 106651815
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one (CID 106651997) is 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one is CCN(CC)C(CC)(CC)C(=O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one?
The InChIKey is ACBUVWCMIBHJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-17(6-2,18(7-3)8-4)16(19)15-13-11-9-10-12-14-15/h13H,5-12,14H2,1-4H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one?
1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one is sourced from PubChem (CID 106651997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).