1-(2-aminocycloheptyl)-2-methylpropan-1-one

C11H21NO — CID 116595078

IUPAC1-(2-aminocycloheptyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCCCCC1N
InChIInChI=1S/C11H21NO/c1-8(2)11(13)9-6-4-3-5-7-10(9)12/h8-10H,3-7,12H2,1-2H3
InChIKeySVFXRJOLNUZSAZ-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.12
Rot. Bonds2

About 1-(2-aminocycloheptyl)-2-methylpropan-1-one

1-(2-aminocycloheptyl)-2-methylpropan-1-one (PubChem CID 116595078) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(2-aminocycloheptyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-aminocycloheptyl)-2-methylpropan-1-one
PubChem CID116595078
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-(2-aminocycloheptyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCCCCC1N
InChIInChI=1S/C11H21NO/c1-8(2)11(13)9-6-4-3-5-7-10(9)12/h8-10H,3-7,12H2,1-2H3
InChIKeySVFXRJOLNUZSAZ-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
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
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
1-(2-aminocyclohexyl)ethanone;ethane
CID 176999507
1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
CID 90964979
1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
CID 116595247
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
(2-aminocycloheptyl)-cyclopentylmethanone
CID 116595079
(2-aminocycloheptyl)-cyclopropylmethanone
CID 116595315

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-aminocycloheptyl)-2-methylpropan-1-one (CID 116595078) is 1-(2-aminocycloheptyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-aminocycloheptyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-aminocycloheptyl)-2-methylpropan-1-one is CC(C)C(=O)C1CCCCCC1N.
What is the InChIKey of 1-(2-aminocycloheptyl)-2-methylpropan-1-one?
The InChIKey is SVFXRJOLNUZSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)11(13)9-6-4-3-5-7-10(9)12/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 1-(2-aminocycloheptyl)-2-methylpropan-1-one?
1-(2-aminocycloheptyl)-2-methylpropan-1-one has a molecular weight of 183.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocycloheptyl)-2-methylpropan-1-one is sourced from PubChem (CID 116595078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).