2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride

C15H32ClN3O — CID 119928683

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCC1CCCCN1C(=O)CN(C)CC(C)(C)CN.Cl
InChIInChI=1S/C15H31N3O.ClH/c1-5-13-8-6-7-9-18(13)14(19)10-17(4)12-15(2,3)11-16;/h13H,5-12,16H2,1-4H3;1H
InChIKeyVRIQFVQFLMYWML-UHFFFAOYSA-N
MW305.89 g/mol
LogP2.12
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119928683) has the molecular formula C15H32ClN3O and a molecular weight of 305.89 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119928683
Molecular FormulaC15H32ClN3O
Molecular Weight305.89 g/mol
Exact Mass305.22
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCC1CCCCN1C(=O)CN(C)CC(C)(C)CN.Cl
InChIInChI=1S/C15H31N3O.ClH/c1-5-13-8-6-7-9-18(13)14(19)10-17(4)12-15(2,3)11-16;/h13H,5-12,16H2,1-4H3;1H
InChIKeyVRIQFVQFLMYWML-UHFFFAOYSA-N
XLogP2.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.89
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124834654
3-amino-1-(2-ethylazepan-1-yl)-2,2-dimethylpropan-1-one
CID 104689401
2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 112815163
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79652067
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2-ethylpiperidin-1-yl)ethanone
CID 60694049
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 79662090
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
CID 119928901
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride (CID 119928683) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride is CCC1CCCCN1C(=O)CN(C)CC(C)(C)CN.Cl.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is VRIQFVQFLMYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.ClH/c1-5-13-8-6-7-9-18(13)14(19)10-17(4)12-15(2,3)11-16;/h13H,5-12,16H2,1-4H3;1H.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 305.89 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119928683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).