N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine

C17H25N3 — CID 106561499

IUPACN-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
SMILESCCCCc1ccc(Nc2nc(C)cn2CCC)cc1
InChIInChI=1S/C17H25N3/c1-4-6-7-15-8-10-16(11-9-15)19-17-18-14(3)13-20(17)12-5-2/h8-11,13H,4-7,12H2,1-3H3,(H,18,19)
InChIKeyYVYXPKNLCFVJFD-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.69
Rot. Bonds7

About N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine

N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine (PubChem CID 106561499) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
PubChem CID106561499
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
SMILESCCCCc1ccc(Nc2nc(C)cn2CCC)cc1
InChIInChI=1S/C17H25N3/c1-4-6-7-15-8-10-16(11-9-15)19-17-18-14(3)13-20(17)12-5-2/h8-11,13H,4-7,12H2,1-3H3,(H,18,19)
InChIKeyYVYXPKNLCFVJFD-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine?
The IUPAC name of N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine (CID 106561499) is N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine.
What is the SMILES notation for N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine?
The canonical SMILES for N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine is CCCCc1ccc(Nc2nc(C)cn2CCC)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine?
The InChIKey is YVYXPKNLCFVJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-6-7-15-8-10-16(11-9-15)19-17-18-14(3)13-20(17)12-5-2/h8-11,13H,4-7,12H2,1-3H3,(H,18,19).
What are the key properties of N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine?
N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine is sourced from PubChem (CID 106561499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).