2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride

C12H25ClN2O — CID 119785159

IUPAC2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CCCCCC1C.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(9-13-3)12(15)14-8-6-4-5-7-11(14)2;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyNNEBBYVFQYRGFL-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride

2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride (PubChem CID 119785159) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
PubChem CID119785159
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CCCCCC1C.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(9-13-3)12(15)14-8-6-4-5-7-11(14)2;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyNNEBBYVFQYRGFL-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119792033
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875378
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 103811877
3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 104689693
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride (CID 119785159) is 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride is CNCC(C)C(=O)N1CCCCCC1C.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride?
The InChIKey is NNEBBYVFQYRGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10(9-13-3)12(15)14-8-6-4-5-7-11(14)2;/h10-11,13H,4-9H2,1-3H3;1H.
What are the key properties of 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride?
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119785159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).