(3S)-3-amino-7,7-dimethylazepan-2-one

C8H16N2O — CID 10898946

IUPAC(3S)-3-amino-7,7-dimethylazepan-2-one
SMILESCC1(C)CCC[C@H](N)C(=O)N1
InChIInChI=1S/C8H16N2O/c1-8(2)5-3-4-6(9)7(11)10-8/h6H,3-5,9H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyNNOPYGPRYZHBRN-LURJTMIESA-N
MW156.23 g/mol
LogP0.39
Rot. Bonds

About (3S)-3-amino-7,7-dimethylazepan-2-one

(3S)-3-amino-7,7-dimethylazepan-2-one (PubChem CID 10898946) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3S)-3-amino-7,7-dimethylazepan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-7,7-dimethylazepan-2-one
PubChem CID10898946
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3S)-3-amino-7,7-dimethylazepan-2-one
SMILESCC1(C)CCC[C@H](N)C(=O)N1
InChIInChI=1S/C8H16N2O/c1-8(2)5-3-4-6(9)7(11)10-8/h6H,3-5,9H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyNNOPYGPRYZHBRN-LURJTMIESA-N
XLogP0.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3S)-2-oxoazepan-3-yl]dodecanamide
CID 44157843
2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
CID 110196345
N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 110196347
Caprolactin A
CID 21773705
N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide
CID 110196349
N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide
CID 110196350
Dimethyl amino caprolactam
CID 172225817
2-methyl-N-[[(2R)-7-oxoazepan-2-yl]methyl]propanamide
CID 164636934
(2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide
CID 164637314
5-Fluoro-5-propylazepane-2-carboxamide
CID 141105895
7-(2-Methylpropyl)azepan-2-one
CID 10464722
7-methyl-N-(2-oxoazepan-3-yl)octanamide
CID 21728676

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-7,7-dimethylazepan-2-one?
The IUPAC name of (3S)-3-amino-7,7-dimethylazepan-2-one (CID 10898946) is (3S)-3-amino-7,7-dimethylazepan-2-one.
What is the SMILES notation for (3S)-3-amino-7,7-dimethylazepan-2-one?
The canonical SMILES for (3S)-3-amino-7,7-dimethylazepan-2-one is CC1(C)CCC[C@H](N)C(=O)N1.
What is the InChIKey of (3S)-3-amino-7,7-dimethylazepan-2-one?
The InChIKey is NNOPYGPRYZHBRN-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2)5-3-4-6(9)7(11)10-8/h6H,3-5,9H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (3S)-3-amino-7,7-dimethylazepan-2-one?
(3S)-3-amino-7,7-dimethylazepan-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-7,7-dimethylazepan-2-one is sourced from PubChem (CID 10898946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).