N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine

C15H22N4 — CID 62761727

IUPACN'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNCc1cnc[nH]1)Cc1ccccc1
InChIInChI=1S/C15H22N4/c1-19(12-14-6-3-2-4-7-14)9-5-8-16-10-15-11-17-13-18-15/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3,(H,17,18)
InChIKeyRJYFOGVEDDDGFH-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.02
Rot. Bonds8

About N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine

N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine (PubChem CID 62761727) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine
PubChem CID62761727
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNCc1cnc[nH]1)Cc1ccccc1
InChIInChI=1S/C15H22N4/c1-19(12-14-6-3-2-4-7-14)9-5-8-16-10-15-11-17-13-18-15/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3,(H,17,18)
InChIKeyRJYFOGVEDDDGFH-UHFFFAOYSA-N
XLogP2.02
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine (CID 62761727) is N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine is CN(CCCNCc1cnc[nH]1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is RJYFOGVEDDDGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-19(12-14-6-3-2-4-7-14)9-5-8-16-10-15-11-17-13-18-15/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3,(H,17,18).
What are the key properties of N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine?
N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62761727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).