N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine

C15H21N3 — CID 66145704

IUPACN-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1Cc1cccc(C)c1
InChIInChI=1S/C15H21N3/c1-3-7-16-9-15-10-17-12-18(15)11-14-6-4-5-13(2)8-14/h4-6,8,10,12,16H,3,7,9,11H2,1-2H3
InChIKeyYBLAWJVKQKHKEU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds6

About N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine

N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66145704) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID66145704
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1Cc1cccc(C)c1
InChIInChI=1S/C15H21N3/c1-3-7-16-9-15-10-17-12-18(15)11-14-6-4-5-13(2)8-14/h4-6,8,10,12,16H,3,7,9,11H2,1-2H3
InChIKeyYBLAWJVKQKHKEU-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 66145704) is N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cncn1Cc1cccc(C)c1.
What is the InChIKey of N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is YBLAWJVKQKHKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-7-16-9-15-10-17-12-18(15)11-14-6-4-5-13(2)8-14/h4-6,8,10,12,16H,3,7,9,11H2,1-2H3.
What are the key properties of N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66145704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).