4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride

C15H23ClN2O — CID 119345529

IUPAC4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
SMILESCCCC1(CNC(=O)c2ccc(CN)cc2)CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-7-15(8-9-15)11-17-14(18)13-5-3-12(10-16)4-6-13;/h3-6H,2,7-11,16H2,1H3,(H,17,18);1H
InChIKeyAWYYVCQHXCEMCR-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.88
Rot. Bonds6

About 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride

4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride (PubChem CID 119345529) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
PubChem CID119345529
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
SMILESCCCC1(CNC(=O)c2ccc(CN)cc2)CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-7-15(8-9-15)11-17-14(18)13-5-3-12(10-16)4-6-13;/h3-6H,2,7-11,16H2,1H3,(H,17,18);1H
InChIKeyAWYYVCQHXCEMCR-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103813045
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
CID 119339941
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717510
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80736770
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride (CID 119345529) is 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride is CCCC1(CNC(=O)c2ccc(CN)cc2)CC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride?
The InChIKey is AWYYVCQHXCEMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-2-7-15(8-9-15)11-17-14(18)13-5-3-12(10-16)4-6-13;/h3-6H,2,7-11,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119345529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).