1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one

C14H28N2O — CID 22985276

IUPAC1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(CC(C)(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-13(2,3)10-16-12(17)11(15-6)8-7-9-14(16,4)5/h11,15H,7-10H2,1-6H3
InChIKeyXFJMSOVOXFRAGK-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one

1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 22985276) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
PubChem CID22985276
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(CC(C)(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-13(2,3)10-16-12(17)11(15-6)8-7-9-14(16,4)5/h11,15H,7-10H2,1-6H3
InChIKeyXFJMSOVOXFRAGK-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 22985285
7,7-dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590235
7,7-dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 20590216
1-cyclobut-2-en-1-yl-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 22984633
7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one
CID 20590219
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one
CID 107165265
2,2-dimethyl-3-[3-(methylamino)-2-oxopiperidin-1-yl]propanamide
CID 106277942
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one
CID 106248107
1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one
CID 66173488
(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one
CID 94236113
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(methylamino)piperidin-2-one
CID 83114919
methyl 2-[6,6-dimethyl-3-(methylamino)-2-oxoazepan-1-yl]acetate
CID 22985327

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one (CID 22985276) is 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)(C)N(CC(C)(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is XFJMSOVOXFRAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2,3)10-16-12(17)11(15-6)8-7-9-14(16,4)5/h11,15H,7-10H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-7,7-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22985276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).