2-butyl-4-(dimethylamino)cyclohexan-1-one

C12H23NO — CID 150896185

IUPAC2-butyl-4-(dimethylamino)cyclohexan-1-one
SMILESCCCCC1CC(N(C)C)CCC1=O
InChIInChI=1S/C12H23NO/c1-4-5-6-10-9-11(13(2)3)7-8-12(10)14/h10-11H,4-9H2,1-3H3
InChIKeyKZAQCKCQYYZXMI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds4

About 2-butyl-4-(dimethylamino)cyclohexan-1-one

2-butyl-4-(dimethylamino)cyclohexan-1-one (PubChem CID 150896185) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-butyl-4-(dimethylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-butyl-4-(dimethylamino)cyclohexan-1-one
PubChem CID150896185
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-butyl-4-(dimethylamino)cyclohexan-1-one
SMILESCCCCC1CC(N(C)C)CCC1=O
InChIInChI=1S/C12H23NO/c1-4-5-6-10-9-11(13(2)3)7-8-12(10)14/h10-11H,4-9H2,1-3H3
InChIKeyKZAQCKCQYYZXMI-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

2-butylcyclopentan-1-one;N,N-dimethylmethanamine
CID 145289923
2-decyl-4-methylcyclohexan-1-one
CID 55185770
2-butylcyclopentan-1-one;methanamine
CID 174247706
2-butylcyclohexan-1-one;ethene
CID 174843360
trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one
CID 124509063
2-decylcyclopentan-1-one
CID 12823821
(2R)-2-pentylcyclohexan-1-one
CID 86310435
4,4-diethyl-2-pentylcyclohexan-1-one
CID 175308154
2-[2-[methyl(propyl)amino]ethyl]cyclobutan-1-one
CID 165449059
(2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one
CID 12838021
2-nonylcyclododecan-1-one
CID 14296722
2-[2-(dipropylamino)ethyl]cyclobutan-1-one
CID 165449053

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(dimethylamino)cyclohexan-1-one?
The IUPAC name of 2-butyl-4-(dimethylamino)cyclohexan-1-one (CID 150896185) is 2-butyl-4-(dimethylamino)cyclohexan-1-one.
What is the SMILES notation for 2-butyl-4-(dimethylamino)cyclohexan-1-one?
The canonical SMILES for 2-butyl-4-(dimethylamino)cyclohexan-1-one is CCCCC1CC(N(C)C)CCC1=O.
What is the InChIKey of 2-butyl-4-(dimethylamino)cyclohexan-1-one?
The InChIKey is KZAQCKCQYYZXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-6-10-9-11(13(2)3)7-8-12(10)14/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-butyl-4-(dimethylamino)cyclohexan-1-one?
2-butyl-4-(dimethylamino)cyclohexan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(dimethylamino)cyclohexan-1-one is sourced from PubChem (CID 150896185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).