7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one

C14H29N3O — CID 20590235

IUPAC7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
SMILESCCCN(C)CN1C(=O)C(NC)CCCC1(C)C
InChIInChI=1S/C14H29N3O/c1-6-10-16(5)11-17-13(18)12(15-4)8-7-9-14(17,2)3/h12,15H,6-11H2,1-5H3
InChIKeyAXTKFJPINRNPBZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.66
Rot. Bonds5

About 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one

7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one (PubChem CID 20590235) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
PubChem CID20590235
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
SMILESCCCN(C)CN1C(=O)C(NC)CCCC1(C)C
InChIInChI=1S/C14H29N3O/c1-6-10-16(5)11-17-13(18)12(15-4)8-7-9-14(17,2)3/h12,15H,6-11H2,1-5H3
InChIKeyAXTKFJPINRNPBZ-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-5-methyl-7-(2-methylpropyl)-1,3,5-triazepane-2,6-dione
CID 44417506
2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
CID 110196345
Caprolactin A
CID 21773705
7-methyl-N-(2-oxoazepan-3-yl)octanamide
CID 21728676
(3S)-3-amino-7,7-dimethylazepan-2-one
CID 10898946
1-[(Dimethylamino)methyl]-3-(methylamino)azepan-2-one
CID 20589777
1-[(Dimethylamino)methyl]-4-methyl-3-(methylamino)azepan-2-one
CID 20589778
3-(Methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20589815
3-(Methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 20589976
5,5-Dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590007
5-Methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590051
5-(Methylamino)-3-[[methyl(propyl)amino]methyl]-3-azabicyclo[5.1.0]octan-4-one
CID 20590076

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one?
The IUPAC name of 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one (CID 20590235) is 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one.
What is the SMILES notation for 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one?
The canonical SMILES for 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one is CCCN(C)CN1C(=O)C(NC)CCCC1(C)C.
What is the InChIKey of 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one?
The InChIKey is AXTKFJPINRNPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-10-16(5)11-17-13(18)12(15-4)8-7-9-14(17,2)3/h12,15H,6-11H2,1-5H3.
What are the key properties of 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one?
7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one has a molecular weight of 255.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one is sourced from PubChem (CID 20590235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).