1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one

C11H22N2O — CID 103934843

IUPAC1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one
SMILESC[C@@H](N)CN1CCC(C)(C)CCC1=O
InChIInChI=1S/C11H22N2O/c1-9(12)8-13-7-6-11(2,3)5-4-10(13)14/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyPQCZYBXTIHZALR-SECBINFHSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds2

About 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one

1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one (PubChem CID 103934843) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one.

Molecular Properties

Compound Name1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one
PubChem CID103934843
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one
SMILESC[C@@H](N)CN1CCC(C)(C)CCC1=O
InChIInChI=1S/C11H22N2O/c1-9(12)8-13-7-6-11(2,3)5-4-10(13)14/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyPQCZYBXTIHZALR-SECBINFHSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407
1-(2-hydroxy-3-methoxy-3-methylbutyl)-5,5-dimethylazepan-2-one
CID 114228784
5,5-dimethyl-1-[3-(2-methylpropylamino)propyl]azepan-2-one
CID 65284086
5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one
CID 65284281
1-(4-amino-3,3-dimethylbutyl)-5,5-dimethylazepan-2-one
CID 65286653
5,5-dimethyl-1-(oxiran-2-ylmethyl)azepan-2-one
CID 65284040
1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one
CID 103934825
4-(5,5-dimethyl-2-oxoazepan-1-yl)butanethioamide
CID 65284670
2-[1-[(5,5-dimethyl-2-oxoazepan-1-yl)methyl]cyclopropyl]acetonitrile
CID 65493027
4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one
CID 130663665
1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one
CID 106708430
ethyl (E)-4-(5,5-dimethyl-2-oxoazepan-1-yl)but-2-enoate
CID 80546657

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one?
The IUPAC name of 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one (CID 103934843) is 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one.
What is the SMILES notation for 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one?
The canonical SMILES for 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one is C[C@@H](N)CN1CCC(C)(C)CCC1=O.
What is the InChIKey of 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one?
The InChIKey is PQCZYBXTIHZALR-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(12)8-13-7-6-11(2,3)5-4-10(13)14/h9H,4-8,12H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one?
1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one is sourced from PubChem (CID 103934843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).