3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one

C11H19NO — CID 106655429

IUPAC3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)C1=CCCCC1
InChIInChI=1S/C11H19NO/c1-11(2,12)8-10(13)9-6-4-3-5-7-9/h6H,3-5,7-8,12H2,1-2H3
InChIKeyLPWKHEDONQXVRN-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one

3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one (PubChem CID 106655429) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
PubChem CID106655429
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)C1=CCCCC1
InChIInChI=1S/C11H19NO/c1-11(2,12)8-10(13)9-6-4-3-5-7-9/h6H,3-5,7-8,12H2,1-2H3
InChIKeyLPWKHEDONQXVRN-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877
1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
CID 103450416
2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450386
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690
ethyl cycloundecene-1-carboxylate
CID 154164177
3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one
CID 106655578
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one (CID 106655429) is 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one is CC(C)(N)CC(=O)C1=CCCCC1.
What is the InChIKey of 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one?
The InChIKey is LPWKHEDONQXVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,12)8-10(13)9-6-4-3-5-7-9/h6H,3-5,7-8,12H2,1-2H3.
What are the key properties of 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one?
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 106655429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).