N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine

C18H27N3 — CID 63976027

IUPACN-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
SMILESCCCNC(CC)c1ccc(-c2nccn2CCC)cc1
InChIInChI=1S/C18H27N3/c1-4-11-19-17(6-3)15-7-9-16(10-8-15)18-20-12-14-21(18)13-5-2/h7-10,12,14,17,19H,4-6,11,13H2,1-3H3
InChIKeyNLUMPXBKRHSKQU-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.41
Rot. Bonds8

About N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine

N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine (PubChem CID 63976027) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
PubChem CID63976027
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
SMILESCCCNC(CC)c1ccc(-c2nccn2CCC)cc1
InChIInChI=1S/C18H27N3/c1-4-11-19-17(6-3)15-7-9-16(10-8-15)18-20-12-14-21(18)13-5-2/h7-10,12,14,17,19H,4-6,11,13H2,1-3H3
InChIKeyNLUMPXBKRHSKQU-UHFFFAOYSA-N
XLogP4.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 82772140
4-(1-propylimidazol-2-yl)benzaldehyde
CID 63975190
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine?
The IUPAC name of N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine (CID 63976027) is N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine?
The canonical SMILES for N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine is CCCNC(CC)c1ccc(-c2nccn2CCC)cc1.
What is the InChIKey of N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine?
The InChIKey is NLUMPXBKRHSKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-11-19-17(6-3)15-7-9-16(10-8-15)18-20-12-14-21(18)13-5-2/h7-10,12,14,17,19H,4-6,11,13H2,1-3H3.
What are the key properties of N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine?
N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine is sourced from PubChem (CID 63976027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).