3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride

C16H24ClN3O2 — CID 120808264

IUPAC3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(C(=O)N2CCC(C)(CN)C2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-16(10-17)7-8-19(11-16)15(21)13-6-4-5-12(9-13)14(20)18(2)3;/h4-6,9H,7-8,10-11,17H2,1-3H3;1H
InChIKeyHTYLKLFXIDXSQT-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.62
Rot. Bonds3

About 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride

3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120808264) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
PubChem CID120808264
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(C(=O)N2CCC(C)(CN)C2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-16(10-17)7-8-19(11-16)15(21)13-6-4-5-12(9-13)14(20)18(2)3;/h4-6,9H,7-8,10-11,17H2,1-3H3;1H
InChIKeyHTYLKLFXIDXSQT-UHFFFAOYSA-N
XLogP1.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 120806066
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
CID 120777989
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 120809683
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 120808403
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120809182
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 120804177
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 120809441
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 120807953
1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 120804112
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone;dihydrochloride
CID 120805286
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanone
CID 120805317

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride (CID 120808264) is 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride is CN(C)C(=O)c1cccc(C(=O)N2CCC(C)(CN)C2)c1.Cl.
What is the InChIKey of 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is HTYLKLFXIDXSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-16(10-17)7-8-19(11-16)15(21)13-6-4-5-12(9-13)14(20)18(2)3;/h4-6,9H,7-8,10-11,17H2,1-3H3;1H.
What are the key properties of 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride?
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120808264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).