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

C17H25N3 — CID 66152003

IUPACN-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1CCC(C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-10-18-12-17-13-19-14-20(17)11-9-15(2)16-7-5-4-6-8-16/h4-8,13-15,18H,3,9-12H2,1-2H3
InChIKeyGIFWHPGKOPLUSJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.58
Rot. Bonds8

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

N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66152003) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID66152003
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1CCC(C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-10-18-12-17-13-19-14-20(17)11-9-15(2)16-7-5-4-6-8-16/h4-8,13-15,18H,3,9-12H2,1-2H3
InChIKeyGIFWHPGKOPLUSJ-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.58
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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Related Compounds

N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 104766858
3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66130980
N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62988235
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66146501
2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130579
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 66150955
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine (CID 66152003) is N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cncn1CCC(C)c1ccccc1.
What is the InChIKey of N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is GIFWHPGKOPLUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-10-18-12-17-13-19-14-20(17)11-9-15(2)16-7-5-4-6-8-16/h4-8,13-15,18H,3,9-12H2,1-2H3.
What are the key properties of N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine?
N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66152003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).