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

C9H19N3 — CID 20728223

IUPAC3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine
SMILESCC1=NC(C)C(C)N1CCCN
InChIInChI=1S/C9H19N3/c1-7-8(2)12(6-4-5-10)9(3)11-7/h7-8H,4-6,10H2,1-3H3
InChIKeyRVKDLGBIZRGZNJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.85
Rot. Bonds3

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

3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine (PubChem CID 20728223) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine
PubChem CID20728223
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine
SMILESCC1=NC(C)C(C)N1CCCN
InChIInChI=1S/C9H19N3/c1-7-8(2)12(6-4-5-10)9(3)11-7/h7-8H,4-6,10H2,1-3H3
InChIKeyRVKDLGBIZRGZNJ-UHFFFAOYSA-N
XLogP0.85
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.85
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-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine (CID 20728223) is 3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine is CC1=NC(C)C(C)N1CCCN.
What is the InChIKey of 3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine?
The InChIKey is RVKDLGBIZRGZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7-8(2)12(6-4-5-10)9(3)11-7/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine?
3-(2,4,5-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 0.85, 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-trimethyl-4,5-dihydroimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 20728223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).