4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride

C16H25Cl2N3O — CID 119900325

IUPAC4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
SMILESCC1CC(NC(=O)c2ccc(CN)cc2)CN1C1CC1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-11-8-14(10-19(11)15-6-7-15)18-16(20)13-4-2-12(9-17)3-5-13;;/h2-5,11,14-15H,6-10,17H2,1H3,(H,18,20);2*1H
InChIKeyQTYDWEDHIJQMLG-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.34
Rot. Bonds4

About 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride

4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride (PubChem CID 119900325) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
PubChem CID119900325
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
SMILESCC1CC(NC(=O)c2ccc(CN)cc2)CN1C1CC1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-11-8-14(10-19(11)15-6-7-15)18-16(20)13-4-2-12(9-17)3-5-13;;/h2-5,11,14-15H,6-10,17H2,1H3,(H,18,20);2*1H
InChIKeyQTYDWEDHIJQMLG-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide
CID 124693465
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
(2S)-2-amino-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-phenylpropanamide
CID 124693344
4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
CID 125152934
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide;dihydrochloride
CID 119900317
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526
ethyl 4-[[4-(aminomethyl)benzoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297435
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpropanamide
CID 119900290

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride (CID 119900325) is 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride is CC1CC(NC(=O)c2ccc(CN)cc2)CN1C1CC1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride?
The InChIKey is QTYDWEDHIJQMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c1-11-8-14(10-19(11)15-6-7-15)18-16(20)13-4-2-12(9-17)3-5-13;;/h2-5,11,14-15H,6-10,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride?
4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119900325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).