2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

C17H28ClN3O — CID 120772641

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN2CCC(C)(CN)C2)c(C)c1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-12-7-13(2)16(14(3)8-12)19-15(21)9-20-6-5-17(4,10-18)11-20;/h7-8H,5-6,9-11,18H2,1-4H3,(H,19,21);1H
InChIKeyXQPRCSDQEUQPMN-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.64
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 120772641) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
PubChem CID120772641
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN2CCC(C)(CN)C2)c(C)c1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-12-7-13(2)16(14(3)8-12)19-15(21)9-20-6-5-17(4,10-18)11-20;/h7-8H,5-6,9-11,18H2,1-4H3,(H,19,21);1H
InChIKeyXQPRCSDQEUQPMN-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 120771771
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120772287
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120773332
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride
CID 120772229
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 120772306
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 120772304
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide;hydrochloride
CID 120773821
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120773666
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120771660

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 120772641) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is Cc1cc(C)c(NC(=O)CN2CCC(C)(CN)C2)c(C)c1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The InChIKey is XQPRCSDQEUQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-12-7-13(2)16(14(3)8-12)19-15(21)9-20-6-5-17(4,10-18)11-20;/h7-8H,5-6,9-11,18H2,1-4H3,(H,19,21);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120772641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).