1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine

C16H24N4 — CID 106557519

IUPAC1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine
SMILESCCNc1nccn1CCCN(C)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-3-17-16-18-10-13-20(16)12-7-11-19(2)14-15-8-5-4-6-9-15/h4-6,8-10,13H,3,7,11-12,14H2,1-2H3,(H,17,18)
InChIKeySFJDWLCZTMOLOC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.84
Rot. Bonds8

About 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine

1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine (PubChem CID 106557519) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine.

Molecular Properties

Compound Name1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine
PubChem CID106557519
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine
SMILESCCNc1nccn1CCCN(C)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-3-17-16-18-10-13-20(16)12-7-11-19(2)14-15-8-5-4-6-9-15/h4-6,8-10,13H,3,7,11-12,14H2,1-2H3,(H,17,18)
InChIKeySFJDWLCZTMOLOC-UHFFFAOYSA-N
XLogP2.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-phenylbutyl)imidazol-2-amine
CID 106572158
[1-[2-[benzyl(methyl)amino]ethyl]imidazol-2-yl]methanol
CID 166381144
N-methyl-1-(3-phenylpropyl)imidazol-2-amine
CID 106563175
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
N-ethyl-1-(pyridin-2-ylmethyl)imidazol-2-amine
CID 106559547
N-ethyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567554
1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
CID 106565580
N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine
CID 66147325
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylimidazol-2-amine
CID 106569578
N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine
CID 43510639
N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine
CID 28903560

Frequently Asked Questions

What is the IUPAC name of 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine?
The IUPAC name of 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine (CID 106557519) is 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine.
What is the SMILES notation for 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine?
The canonical SMILES for 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine is CCNc1nccn1CCCN(C)Cc1ccccc1.
What is the InChIKey of 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine?
The InChIKey is SFJDWLCZTMOLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-17-16-18-10-13-20(16)12-7-11-19(2)14-15-8-5-4-6-9-15/h4-6,8-10,13H,3,7,11-12,14H2,1-2H3,(H,17,18).
What are the key properties of 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine?
1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine is sourced from PubChem (CID 106557519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).