N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine

C18H27N3 — CID 62351256

IUPACN-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cn1cnc(C)c1C)c1cc(C)ccc1C
InChIInChI=1S/C18H27N3/c1-6-9-19-18(11-21-12-20-15(4)16(21)5)17-10-13(2)7-8-14(17)3/h7-8,10,12,18-19H,6,9,11H2,1-5H3
InChIKeyUMBZOGYLLGUMIY-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.86
Rot. Bonds6

About N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine

N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 62351256) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
PubChem CID62351256
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cn1cnc(C)c1C)c1cc(C)ccc1C
InChIInChI=1S/C18H27N3/c1-6-9-19-18(11-21-12-20-15(4)16(21)5)17-10-13(2)7-8-14(17)3/h7-8,10,12,18-19H,6,9,11H2,1-5H3
InChIKeyUMBZOGYLLGUMIY-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 55064734
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62349669
2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 62349856
3-(4,5-dimethylimidazol-1-yl)-2-(propylamino)propanoic acid
CID 62350091
N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]butan-1-amine
CID 115888352
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
N-[2-(2,2-difluoroethoxy)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 82004844
[2-(benzimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105292476
N-[1-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621766
1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one
CID 80580469
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine (CID 62351256) is N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine is CCCNC(Cn1cnc(C)c1C)c1cc(C)ccc1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is UMBZOGYLLGUMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-9-19-18(11-21-12-20-15(4)16(21)5)17-10-13(2)7-8-14(17)3/h7-8,10,12,18-19H,6,9,11H2,1-5H3.
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine?
N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 62351256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).