1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one

C12H23NO — CID 116595247

IUPAC1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCCCC1N
InChIInChI=1S/C12H23NO/c1-12(2,3)11(14)9-7-5-4-6-8-10(9)13/h9-10H,4-8,13H2,1-3H3
InChIKeySEWHYUDWEIEDTG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.51
Rot. Bonds1

About 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one

1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one (PubChem CID 116595247) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
PubChem CID116595247
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCCCC1N
InChIInChI=1S/C12H23NO/c1-12(2,3)11(14)9-7-5-4-6-8-10(9)13/h9-10H,4-8,13H2,1-3H3
InChIKeySEWHYUDWEIEDTG-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide
CID 123758150
1-(2-aminocyclohexyl)ethanone;ethane
CID 176999507
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
CID 90964979
1-(2-aminocycloheptyl)-2-methylpropan-1-one
CID 116595078
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 106188227
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
(2-aminocycloheptyl)-cyclopentylmethanone
CID 116595079
(2-aminocycloheptyl)-cyclopropylmethanone
CID 116595315
(2-aminocyclohexyl)-cycloheptylmethanone
CID 116580013

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one (CID 116595247) is 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCCCCC1N.
What is the InChIKey of 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one?
The InChIKey is SEWHYUDWEIEDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)11(14)9-7-5-4-6-8-10(9)13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one?
1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 116595247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).