2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride

C13H23Cl2N3O — CID 119835671

IUPAC2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
SMILESCN(CCCNC(=O)CN)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-16(9-5-8-15-13(17)10-14)11-12-6-3-2-4-7-12;;/h2-4,6-7H,5,8-11,14H2,1H3,(H,15,17);2*1H
InChIKeyPMQSBHRFRXJLDL-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.43
Rot. Bonds7

About 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride

2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride (PubChem CID 119835671) has the molecular formula C13H23Cl2N3O and a molecular weight of 308.25 g/mol. Its IUPAC name is 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
PubChem CID119835671
Molecular FormulaC13H23Cl2N3O
Molecular Weight308.25 g/mol
Exact Mass307.12
IUPAC Name2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
SMILESCN(CCCNC(=O)CN)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-16(9-5-8-15-13(17)10-14)11-12-6-3-2-4-7-12;;/h2-4,6-7H,5,8-11,14H2,1H3,(H,15,17);2*1H
InChIKeyPMQSBHRFRXJLDL-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride
CID 119897269
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
CID 119896383
N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
CID 41306516
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride (CID 119835671) is 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride is CN(CCCNC(=O)CN)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride?
The InChIKey is PMQSBHRFRXJLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.2ClH/c1-16(9-5-8-15-13(17)10-14)11-12-6-3-2-4-7-12;;/h2-4,6-7H,5,8-11,14H2,1H3,(H,15,17);2*1H.
What are the key properties of 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride?
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride has a molecular weight of 308.25 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride is sourced from PubChem (CID 119835671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).