2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride

C14H27ClN2O — CID 119792028

IUPAC2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride
SMILESCC1CCCC(C)N(C(=O)CNCC2CC2)C1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11-4-3-5-12(2)16(10-11)14(17)9-15-8-13-6-7-13;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyYYSDQYKBZOYWFA-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.44
Rot. Bonds4

About 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride

2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride (PubChem CID 119792028) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride
PubChem CID119792028
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride
SMILESCC1CCCC(C)N(C(=O)CNCC2CC2)C1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11-4-3-5-12(2)16(10-11)14(17)9-15-8-13-6-7-13;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyYYSDQYKBZOYWFA-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119792047
2-(cyclopropylmethylamino)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 119888274
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111540286
1-[(2R,6R)-2,6-dimethylazepan-1-yl]-5-[(3R)-dithiolan-3-yl]pentan-1-one
CID 99811073
1-(2-cyclobutylpyrrolidin-1-yl)-2-(cyclopropylmethylamino)ethanone
CID 119765732
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102780606
2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide
CID 95933167
2-(cyclopropylmethylamino)-N-(2-methylcyclopentyl)acetamide
CID 63281463
1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119792033
2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63633328
2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 122081276

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride (CID 119792028) is 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride is CC1CCCC(C)N(C(=O)CNCC2CC2)C1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride?
The InChIKey is YYSDQYKBZOYWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-11-4-3-5-12(2)16(10-11)14(17)9-15-8-13-6-7-13;/h11-13,15H,3-10H2,1-2H3;1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119792028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).