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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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).