N-methyl-1-(3-phenylpropyl)imidazol-2-amine

C13H17N3 — CID 106563175

IUPACN-methyl-1-(3-phenylpropyl)imidazol-2-amine
SMILESCNc1nccn1CCCc1ccccc1
InChIInChI=1S/C13H17N3/c1-14-13-15-9-11-16(13)10-5-8-12-6-3-2-4-7-12/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,14,15)
InChIKeyZEAWKWYGDMWVLD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds5

About N-methyl-1-(3-phenylpropyl)imidazol-2-amine

N-methyl-1-(3-phenylpropyl)imidazol-2-amine (PubChem CID 106563175) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-(3-phenylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-phenylpropyl)imidazol-2-amine
PubChem CID106563175
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-(3-phenylpropyl)imidazol-2-amine
SMILESCNc1nccn1CCCc1ccccc1
InChIInChI=1S/C13H17N3/c1-14-13-15-9-11-16(13)10-5-8-12-6-3-2-4-7-12/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,14,15)
InChIKeyZEAWKWYGDMWVLD-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 82558274
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
1,3-diethyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine
CID 111911648
2-(chloromethyl)-1-(4-phenylbutyl)imidazole
CID 114334337
2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole
CID 56863024
N-(2-methyl-4-phenylbutan-2-yl)-1-propylimidazol-2-amine
CID 106581092
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567511
1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine
CID 106557519
1-octyl-N-phenylimidazol-2-amine
CID 106578848
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenylpropyl)imidazol-2-amine?
The IUPAC name of N-methyl-1-(3-phenylpropyl)imidazol-2-amine (CID 106563175) is N-methyl-1-(3-phenylpropyl)imidazol-2-amine.
What is the SMILES notation for N-methyl-1-(3-phenylpropyl)imidazol-2-amine?
The canonical SMILES for N-methyl-1-(3-phenylpropyl)imidazol-2-amine is CNc1nccn1CCCc1ccccc1.
What is the InChIKey of N-methyl-1-(3-phenylpropyl)imidazol-2-amine?
The InChIKey is ZEAWKWYGDMWVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-13-15-9-11-16(13)10-5-8-12-6-3-2-4-7-12/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,14,15).
What are the key properties of N-methyl-1-(3-phenylpropyl)imidazol-2-amine?
N-methyl-1-(3-phenylpropyl)imidazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenylpropyl)imidazol-2-amine is sourced from PubChem (CID 106563175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).