1-cyclobutyl-4-(diethylamino)butan-2-one

C12H23NO — CID 79078090

IUPAC1-cyclobutyl-4-(diethylamino)butan-2-one
SMILESCCN(CC)CCC(=O)CC1CCC1
InChIInChI=1S/C12H23NO/c1-3-13(4-2)9-8-12(14)10-11-6-5-7-11/h11H,3-10H2,1-2H3
InChIKeyJAYYGVZIAWTUKK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds7

About 1-cyclobutyl-4-(diethylamino)butan-2-one

1-cyclobutyl-4-(diethylamino)butan-2-one (PubChem CID 79078090) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclobutyl-4-(diethylamino)butan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-4-(diethylamino)butan-2-one
PubChem CID79078090
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclobutyl-4-(diethylamino)butan-2-one
SMILESCCN(CC)CCC(=O)CC1CCC1
InChIInChI=1S/C12H23NO/c1-3-13(4-2)9-8-12(14)10-11-6-5-7-11/h11H,3-10H2,1-2H3
InChIKeyJAYYGVZIAWTUKK-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-4-(dimethylamino)butan-2-one
CID 115345748
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
3-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402379
1-cyclopentylheptadecan-2-one
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1-cyclopentylundecan-2-one
CID 114966416
1-cyclohexylnonan-2-one
CID 22768059
4-chloro-1-cyclopentylbutan-2-one
CID 57105586
1-(diethylamino)heptan-3-one
CID 21485652
1-cycloheptyl-5-ethylsulfonylpentan-2-one
CID 114974504
1-cyclohexyl-5-methylhex-5-en-2-one
CID 58107373
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665
1-[(1S,3S)-3-(2,2-dimethylpropyl)cyclohexyl]pentan-2-one
CID 164950043

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(diethylamino)butan-2-one?
The IUPAC name of 1-cyclobutyl-4-(diethylamino)butan-2-one (CID 79078090) is 1-cyclobutyl-4-(diethylamino)butan-2-one.
What is the SMILES notation for 1-cyclobutyl-4-(diethylamino)butan-2-one?
The canonical SMILES for 1-cyclobutyl-4-(diethylamino)butan-2-one is CCN(CC)CCC(=O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(diethylamino)butan-2-one?
The InChIKey is JAYYGVZIAWTUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13(4-2)9-8-12(14)10-11-6-5-7-11/h11H,3-10H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-(diethylamino)butan-2-one?
1-cyclobutyl-4-(diethylamino)butan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(diethylamino)butan-2-one is sourced from PubChem (CID 79078090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).