1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one

C13H26N2O — CID 119792033

IUPAC1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CC(C)CCCC1C
InChIInChI=1S/C13H26N2O/c1-10-6-5-7-12(3)15(9-10)13(16)11(2)8-14-4/h10-12,14H,5-9H2,1-4H3
InChIKeyWLFFDDQNFMRTHR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds3

About 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one

1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 119792033) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID119792033
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CC(C)CCCC1C
InChIInChI=1S/C13H26N2O/c1-10-6-5-7-12(3)15(9-10)13(16)11(2)8-14-4/h10-12,14H,5-9H2,1-4H3
InChIKeyWLFFDDQNFMRTHR-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119742323
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256
1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 115740155
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 103811877
(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide
CID 124865148
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111540286
2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 119769860

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one (CID 119792033) is 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)N1CC(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is WLFFDDQNFMRTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-6-5-7-12(3)15(9-10)13(16)11(2)8-14-4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 119792033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).