6-methyl-3-(methylamino)-1-propylazepan-2-one

C11H22N2O — CID 20590148

IUPAC6-methyl-3-(methylamino)-1-propylazepan-2-one
SMILESCCCN1CC(C)CCC(NC)C1=O
InChIInChI=1S/C11H22N2O/c1-4-7-13-8-9(2)5-6-10(12-3)11(13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyMVOQCYVTPLDFQT-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds3

About 6-methyl-3-(methylamino)-1-propylazepan-2-one

6-methyl-3-(methylamino)-1-propylazepan-2-one (PubChem CID 20590148) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 6-methyl-3-(methylamino)-1-propylazepan-2-one.

Molecular Properties

Compound Name6-methyl-3-(methylamino)-1-propylazepan-2-one
PubChem CID20590148
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name6-methyl-3-(methylamino)-1-propylazepan-2-one
SMILESCCCN1CC(C)CCC(NC)C1=O
InChIInChI=1S/C11H22N2O/c1-4-7-13-8-9(2)5-6-10(12-3)11(13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyMVOQCYVTPLDFQT-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylamino)-1-propylazepan-2-one?
The IUPAC name of 6-methyl-3-(methylamino)-1-propylazepan-2-one (CID 20590148) is 6-methyl-3-(methylamino)-1-propylazepan-2-one.
What is the SMILES notation for 6-methyl-3-(methylamino)-1-propylazepan-2-one?
The canonical SMILES for 6-methyl-3-(methylamino)-1-propylazepan-2-one is CCCN1CC(C)CCC(NC)C1=O.
What is the InChIKey of 6-methyl-3-(methylamino)-1-propylazepan-2-one?
The InChIKey is MVOQCYVTPLDFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7-13-8-9(2)5-6-10(12-3)11(13)14/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 6-methyl-3-(methylamino)-1-propylazepan-2-one?
6-methyl-3-(methylamino)-1-propylazepan-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylamino)-1-propylazepan-2-one is sourced from PubChem (CID 20590148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).