3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one

C12H23NO — CID 116600016

IUPAC3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one
SMILESCC1CCCC(C(=O)C(C)(C)CN)C1
InChIInChI=1S/C12H23NO/c1-9-5-4-6-10(7-9)11(14)12(2,3)8-13/h9-10H,4-8,13H2,1-3H3
InChIKeyNUTJSGAIAMZXCH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.37
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one

3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one (PubChem CID 116600016) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one
PubChem CID116600016
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one
SMILESCC1CCCC(C(=O)C(C)(C)CN)C1
InChIInChI=1S/C12H23NO/c1-9-5-4-6-10(7-9)11(14)12(2,3)8-13/h9-10H,4-8,13H2,1-3H3
InChIKeyNUTJSGAIAMZXCH-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396
2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-one
CID 114976304
(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
CID 115428214
2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one
CID 116566074
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
2-(dimethylamino)-2-methyl-1-(3-methylcyclohexyl)butan-1-one
CID 79052296
2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone
CID 116588854
4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one
CID 116594872
N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride
CID 131134215
cis-[(1R,3S)-3-methylcyclohexanecarbonyl] (1S,3R)-3-methylcyclohexane-1-carboxylate
CID 98119844
3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915700
5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one
CID 116613468

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one (CID 116600016) is 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one is CC1CCCC(C(=O)C(C)(C)CN)C1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one?
The InChIKey is NUTJSGAIAMZXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-5-4-6-10(7-9)11(14)12(2,3)8-13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one?
3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one is sourced from PubChem (CID 116600016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).