3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine

C9H17N3 — CID 18722289

IUPAC3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine
SMILESCc1nc(C)n(CCCN)c1C
InChIInChI=1S/C9H17N3/c1-7-8(2)12(6-4-5-10)9(3)11-7/h4-6,10H2,1-3H3
InChIKeyCZUXFFSUVDISFM-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.16
Rot. Bonds3

About 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine

3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine (PubChem CID 18722289) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine
PubChem CID18722289
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine
SMILESCc1nc(C)n(CCCN)c1C
InChIInChI=1S/C9H17N3/c1-7-8(2)12(6-4-5-10)9(3)11-7/h4-6,10H2,1-3H3
InChIKeyCZUXFFSUVDISFM-UHFFFAOYSA-N
XLogP1.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
4-amino-1,2-dimethyl-1H-imidazole-5-carbonitrile
CID 12239847
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2,3-dimethyl-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 50987626
1H-Imidazole-1-ethanamine, 4,5-dimethyl-, hydrochloride (1:2)
CID 75531085
6,8-Dimethyl-1,4-dihydroimidazo[1,5-a][1,3,5]triazin-4-amine
CID 44345364
1,3-Dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 74889028
((1,4,5-Trimethyl-1H-imidazol-2-yl)methyl)amine dihydrochloride
CID 75485560
1-(1,4,5-trimethyl-1H-imidazol-2-yl)ethan-1-amine
CID 82463368
3-(2,4-dimethyl-1H-imidazol-1-yl)propan-1-amine dihydrochloride
CID 137701493
3-(2,5-dimethyl-1H-imidazol-1-yl)propan-1-amine dihydrochloride
CID 165691713
2-Fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium
CID 155932247

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine (CID 18722289) is 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine is Cc1nc(C)n(CCCN)c1C.
What is the InChIKey of 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine?
The InChIKey is CZUXFFSUVDISFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-8(2)12(6-4-5-10)9(3)11-7/h4-6,10H2,1-3H3.
What are the key properties of 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine?
3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trimethylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 18722289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).