4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline

C17H25N3 — CID 66134569

IUPAC4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCCc1ccc(NCc2cncn2CCC)cc1
InChIInChI=1S/C17H25N3/c1-3-5-6-15-7-9-16(10-8-15)19-13-17-12-18-14-20(17)11-4-2/h7-10,12,14,19H,3-6,11,13H2,1-2H3
InChIKeyPPJIGMMYTJVLHY-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.25
Rot. Bonds8

About 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline

4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66134569) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66134569
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCCc1ccc(NCc2cncn2CCC)cc1
InChIInChI=1S/C17H25N3/c1-3-5-6-15-7-9-16(10-8-15)19-13-17-12-18-14-20(17)11-4-2/h7-10,12,14,19H,3-6,11,13H2,1-2H3
InChIKeyPPJIGMMYTJVLHY-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130355
N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 66130745
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
methyl 4-[(3-propylimidazol-4-yl)methylamino]benzoate
CID 66132729
N-[(3-propylimidazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 66129543
4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66413662
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
3-[(3-propylimidazol-4-yl)methylamino]phenol
CID 66134782
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66134569) is 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCCc1ccc(NCc2cncn2CCC)cc1.
What is the InChIKey of 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is PPJIGMMYTJVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-5-6-15-7-9-16(10-8-15)19-13-17-12-18-14-20(17)11-4-2/h7-10,12,14,19H,3-6,11,13H2,1-2H3.
What are the key properties of 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 271.41 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66134569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).