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'}

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
CID 115607154
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N'-benzyl-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 104878492
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
CID 142002691
N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine
CID 66398289
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844313
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
CID 77025961
N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 62761782
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
CID 102767271
3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile
CID 43824534

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).