N-ethyl-1-(3-phenylbutyl)imidazol-2-amine

C15H21N3 — CID 106572158

IUPACN-ethyl-1-(3-phenylbutyl)imidazol-2-amine
SMILESCCNc1nccn1CCC(C)c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-16-15-17-10-12-18(15)11-9-13(2)14-7-5-4-6-8-14/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,16,17)
InChIKeyFOKFZVDSBSUPFP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.51
Rot. Bonds6

About N-ethyl-1-(3-phenylbutyl)imidazol-2-amine

N-ethyl-1-(3-phenylbutyl)imidazol-2-amine (PubChem CID 106572158) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-1-(3-phenylbutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-phenylbutyl)imidazol-2-amine
PubChem CID106572158
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-1-(3-phenylbutyl)imidazol-2-amine
SMILESCCNc1nccn1CCC(C)c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-16-15-17-10-12-18(15)11-9-13(2)14-7-5-4-6-8-14/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,16,17)
InChIKeyFOKFZVDSBSUPFP-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-(3-phenylbutyl)imidazol-2-amine
CID 106572126
N-ethyl-1-(pyridin-2-ylmethyl)imidazol-2-amine
CID 106559547
N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine
CID 80507516
1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine
CID 106557519
N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
CID 55256491
4-methyl-1-(3-phenylbutyl)-N-propylimidazol-2-amine
CID 106572132
1-(2-cyclopropylethyl)-N-ethylimidazol-2-amine
CID 106575831
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
1-(2-cyclopentylethyl)-N-ethylimidazol-2-amine
CID 106563426
N-ethyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106572865
N-cyclohexyl-1-(2-phenylpropyl)imidazol-2-amine
CID 106581023
N-ethyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567554

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-phenylbutyl)imidazol-2-amine?
The IUPAC name of N-ethyl-1-(3-phenylbutyl)imidazol-2-amine (CID 106572158) is N-ethyl-1-(3-phenylbutyl)imidazol-2-amine.
What is the SMILES notation for N-ethyl-1-(3-phenylbutyl)imidazol-2-amine?
The canonical SMILES for N-ethyl-1-(3-phenylbutyl)imidazol-2-amine is CCNc1nccn1CCC(C)c1ccccc1.
What is the InChIKey of N-ethyl-1-(3-phenylbutyl)imidazol-2-amine?
The InChIKey is FOKFZVDSBSUPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-16-15-17-10-12-18(15)11-9-13(2)14-7-5-4-6-8-14/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-1-(3-phenylbutyl)imidazol-2-amine?
N-ethyl-1-(3-phenylbutyl)imidazol-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-phenylbutyl)imidazol-2-amine is sourced from PubChem (CID 106572158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).