3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride

C12H18ClN3O — CID 119917602

IUPAC3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CN2CCC(N)C2)c1
InChIInChI=1S/C12H17N3O.ClH/c13-11-4-5-15(8-11)7-9-2-1-3-10(6-9)12(14)16;/h1-3,6,11H,4-5,7-8,13H2,(H2,14,16);1H
InChIKeyJYUHYIHNANIVML-UHFFFAOYSA-N
MW255.75 g/mol
LogP0.74
Rot. Bonds3

About 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride

3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride (PubChem CID 119917602) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
PubChem CID119917602
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CN2CCC(N)C2)c1
InChIInChI=1S/C12H17N3O.ClH/c13-11-4-5-15(8-11)7-9-2-1-3-10(6-9)12(14)16;/h1-3,6,11H,4-5,7-8,13H2,(H2,14,16);1H
InChIKeyJYUHYIHNANIVML-UHFFFAOYSA-N
XLogP0.74
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
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3-[(3-formylpiperidin-1-yl)methyl]benzamide
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3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
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(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
3-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide
CID 97217347
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide
CID 154743427
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
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CID 62941703

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride (CID 119917602) is 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride is Cl.NC(=O)c1cccc(CN2CCC(N)C2)c1.
What is the InChIKey of 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The InChIKey is JYUHYIHNANIVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c13-11-4-5-15(8-11)7-9-2-1-3-10(6-9)12(14)16;/h1-3,6,11H,4-5,7-8,13H2,(H2,14,16);1H.
What are the key properties of 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119917602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).