2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one

C12H21NO — CID 106655718

IUPAC2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-12(2,3)11(13)10(14)9-7-5-4-6-8-9/h7,11H,4-6,8,13H2,1-3H3
InChIKeyOCMPVONEBYSAEW-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.43
Rot. Bonds2

About 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one

2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 106655718) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
PubChem CID106655718
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-12(2,3)11(13)10(14)9-7-5-4-6-8-9/h7,11H,4-6,8,13H2,1-3H3
InChIKeyOCMPVONEBYSAEW-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309405
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
cycloheptene-1-carboxamide
CID 22261654
cyclohexene-1-carboxamide;ethane;molecular hydrogen
CID 162375470
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
4-amino-3-(cyclohexen-1-yl)-4-oxobut-2-enoic acid
CID 67764066
2,2-dimethylpropanoyl cyclohexene-1-carboxylate
CID 101420959
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one (CID 106655718) is 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)C(N)C(=O)C1=CCCCC1.
What is the InChIKey of 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is OCMPVONEBYSAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)11(13)10(14)9-7-5-4-6-8-9/h7,11H,4-6,8,13H2,1-3H3.
What are the key properties of 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one?
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 106655718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).