2-(3-propan-2-ylimidazol-4-yl)ethanamine

C8H15N3 — CID 18722276

IUPAC2-(3-propan-2-ylimidazol-4-yl)ethanamine
SMILESCC(C)n1cncc1CCN
InChIInChI=1S/C8H15N3/c1-7(2)11-6-10-5-8(11)3-4-9/h5-7H,3-4,9H2,1-2H3
InChIKeyREONLTCDZAYJAA-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.97
Rot. Bonds3

About 2-(3-propan-2-ylimidazol-4-yl)ethanamine

2-(3-propan-2-ylimidazol-4-yl)ethanamine (PubChem CID 18722276) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-propan-2-ylimidazol-4-yl)ethanamine
PubChem CID18722276
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(3-propan-2-ylimidazol-4-yl)ethanamine
SMILESCC(C)n1cncc1CCN
InChIInChI=1S/C8H15N3/c1-7(2)11-6-10-5-8(11)3-4-9/h5-7H,3-4,9H2,1-2H3
InChIKeyREONLTCDZAYJAA-UHFFFAOYSA-N
XLogP0.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)ethanamine (CID 18722276) is 2-(3-propan-2-ylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-propan-2-ylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-propan-2-ylimidazol-4-yl)ethanamine is CC(C)n1cncc1CCN.
What is the InChIKey of 2-(3-propan-2-ylimidazol-4-yl)ethanamine?
The InChIKey is REONLTCDZAYJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)11-6-10-5-8(11)3-4-9/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylimidazol-4-yl)ethanamine?
2-(3-propan-2-ylimidazol-4-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylimidazol-4-yl)ethanamine is sourced from PubChem (CID 18722276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).