3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride

C11H19Cl2N3O — CID 138011978

IUPAC3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCc1cccc(CN)c1
InChIInChI=1S/C11H17N3O.2ClH/c12-5-4-11(15)14-8-10-3-1-2-9(6-10)7-13;;/h1-3,6H,4-5,7-8,12-13H2,(H,14,15);2*1H
InChIKeyWGYCAPTVUBZEGU-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.95
Rot. Bonds5

About 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride

3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride (PubChem CID 138011978) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
PubChem CID138011978
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCc1cccc(CN)c1
InChIInChI=1S/C11H17N3O.2ClH/c12-5-4-11(15)14-8-10-3-1-2-9(6-10)7-13;;/h1-3,6H,4-5,7-8,12-13H2,(H,14,15);2*1H
InChIKeyWGYCAPTVUBZEGU-UHFFFAOYSA-N
XLogP0.95
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59934759
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride (CID 138011978) is 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)NCc1cccc(CN)c1.
What is the InChIKey of 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride?
The InChIKey is WGYCAPTVUBZEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c12-5-4-11(15)14-8-10-3-1-2-9(6-10)7-13;;/h1-3,6H,4-5,7-8,12-13H2,(H,14,15);2*1H.
What are the key properties of 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride?
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 138011978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).