1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one

C15H32N4O — CID 20798949

IUPAC1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(CN(C)CCN(C)C)C1=O
InChIInChI=1S/C15H32N4O/c1-15(2)9-7-8-13(16-3)14(20)19(15)12-18(6)11-10-17(4)5/h13,16H,7-12H2,1-6H3
InChIKeyUUSXVVFKRLHCAK-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.82
Rot. Bonds6

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

1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 20798949) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one
PubChem CID20798949
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(CN(C)CCN(C)C)C1=O
InChIInChI=1S/C15H32N4O/c1-15(2)9-7-8-13(16-3)14(20)19(15)12-18(6)11-10-17(4)5/h13,16H,7-12H2,1-6H3
InChIKeyUUSXVVFKRLHCAK-UHFFFAOYSA-N
XLogP0.82
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one with MolForge

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Related Compounds

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
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
6,6-Dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590100
6-Methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590141
7,7-Dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590235
7,7-Dimethyl-3-(methylamino)-1-propylazepan-2-one
CID 20590242
7-Methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590277
1-[(1-Ethylazepan-2-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 20798932

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one (CID 20798949) is 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)(C)N(CN(C)CCN(C)C)C1=O.
What is the InChIKey of 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is UUSXVVFKRLHCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-15(2)9-7-8-13(16-3)14(20)19(15)12-18(6)11-10-17(4)5/h13,16H,7-12H2,1-6H3.
What are the key properties of 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one?
1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 284.45 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)ethyl-methylamino]methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 20798949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).