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

C11H22N2O — CID 20589964

IUPAC4-methyl-3-(methylamino)-1-propylazepan-2-one
SMILESCCCN1CCCC(C)C(NC)C1=O
InChIInChI=1S/C11H22N2O/c1-4-7-13-8-5-6-9(2)10(12-3)11(13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyDLXPARPSEBMDDU-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds3

About 4-methyl-3-(methylamino)-1-propylazepan-2-one

4-methyl-3-(methylamino)-1-propylazepan-2-one (PubChem CID 20589964) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)-1-propylazepan-2-one.

Molecular Properties

Compound Name4-methyl-3-(methylamino)-1-propylazepan-2-one
PubChem CID20589964
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-methyl-3-(methylamino)-1-propylazepan-2-one
SMILESCCCN1CCCC(C)C(NC)C1=O
InChIInChI=1S/C11H22N2O/c1-4-7-13-8-5-6-9(2)10(12-3)11(13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyDLXPARPSEBMDDU-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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Related Compounds

4-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one
CID 20589961
4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one
CID 20589966
1-(1H-imidazol-5-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one
CID 59734957
4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one
CID 20589951
1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one
CID 91180848
1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one
CID 22984790
1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one
CID 22984652
3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one
CID 14493369
2-propyl-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944247
(4S,4aR,7S,7aR)-4,7-dimethyl-2-propyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridin-1-one
CID 58725660
3-(3-hydroxyphenyl)-1-propylpiperidin-2-one
CID 13070741
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylamino)-1-propylazepan-2-one?
The IUPAC name of 4-methyl-3-(methylamino)-1-propylazepan-2-one (CID 20589964) is 4-methyl-3-(methylamino)-1-propylazepan-2-one.
What is the SMILES notation for 4-methyl-3-(methylamino)-1-propylazepan-2-one?
The canonical SMILES for 4-methyl-3-(methylamino)-1-propylazepan-2-one is CCCN1CCCC(C)C(NC)C1=O.
What is the InChIKey of 4-methyl-3-(methylamino)-1-propylazepan-2-one?
The InChIKey is DLXPARPSEBMDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7-13-8-5-6-9(2)10(12-3)11(13)14/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-methyl-3-(methylamino)-1-propylazepan-2-one?
4-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 4-methyl-3-(methylamino)-1-propylazepan-2-one is sourced from PubChem (CID 20589964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).