2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride

C17H34ClN3O — CID 119925997

IUPAC2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCCC(NC(=O)CN2CCCC(C)C2CN)C1C.Cl
InChIInChI=1S/C17H33N3O.ClH/c1-12-6-4-8-15(14(12)3)19-17(21)11-20-9-5-7-13(2)16(20)10-18;/h12-16H,4-11,18H2,1-3H3,(H,19,21);1H
InChIKeyNPWSAALUCXWWDA-UHFFFAOYSA-N
MW331.93 g/mol
LogP2.41
Rot. Bonds4

About 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride (PubChem CID 119925997) has the molecular formula C17H34ClN3O and a molecular weight of 331.93 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
PubChem CID119925997
Molecular FormulaC17H34ClN3O
Molecular Weight331.93 g/mol
Exact Mass331.24
IUPAC Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCCC(NC(=O)CN2CCCC(C)C2CN)C1C.Cl
InChIInChI=1S/C17H33N3O.ClH/c1-12-6-4-8-15(14(12)3)19-17(21)11-20-9-5-7-13(2)16(20)10-18;/h12-16H,4-11,18H2,1-3H3,(H,19,21);1H
InChIKeyNPWSAALUCXWWDA-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.93
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441762
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18271170
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 62063944
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190
N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119927916
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119925971
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride
CID 119925915
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 120771673
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone;hydrochloride
CID 119926112
N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide
CID 56805712

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride (CID 119925997) is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride is CC1CCCC(NC(=O)CN2CCCC(C)C2CN)C1C.Cl.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride?
The InChIKey is NPWSAALUCXWWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.ClH/c1-12-6-4-8-15(14(12)3)19-17(21)11-20-9-5-7-13(2)16(20)10-18;/h12-16H,4-11,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride?
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride has a molecular weight of 331.93 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119925997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).