2-(3-butyl-2H-imidazol-1-yl)ethanamine

C9H19N3 — CID 66897903

IUPAC2-(3-butyl-2H-imidazol-1-yl)ethanamine
SMILESCCCCN1C=CN(CCN)C1
InChIInChI=1S/C9H19N3/c1-2-3-5-11-7-8-12(9-11)6-4-10/h7-8H,2-6,9-10H2,1H3
InChIKeyISXWKMOMQYXZCU-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.79
Rot. Bonds5

About 2-(3-butyl-2H-imidazol-1-yl)ethanamine

2-(3-butyl-2H-imidazol-1-yl)ethanamine (PubChem CID 66897903) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(3-butyl-2H-imidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-butyl-2H-imidazol-1-yl)ethanamine
PubChem CID66897903
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(3-butyl-2H-imidazol-1-yl)ethanamine
SMILESCCCCN1C=CN(CCN)C1
InChIInChI=1S/C9H19N3/c1-2-3-5-11-7-8-12(9-11)6-4-10/h7-8H,2-6,9-10H2,1H3
InChIKeyISXWKMOMQYXZCU-UHFFFAOYSA-N
XLogP0.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2H-imidazol-1-yl)ethanamine?
The IUPAC name of 2-(3-butyl-2H-imidazol-1-yl)ethanamine (CID 66897903) is 2-(3-butyl-2H-imidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-butyl-2H-imidazol-1-yl)ethanamine?
The canonical SMILES for 2-(3-butyl-2H-imidazol-1-yl)ethanamine is CCCCN1C=CN(CCN)C1.
What is the InChIKey of 2-(3-butyl-2H-imidazol-1-yl)ethanamine?
The InChIKey is ISXWKMOMQYXZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-3-5-11-7-8-12(9-11)6-4-10/h7-8H,2-6,9-10H2,1H3.
What are the key properties of 2-(3-butyl-2H-imidazol-1-yl)ethanamine?
2-(3-butyl-2H-imidazol-1-yl)ethanamine has a molecular weight of 169.27 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2H-imidazol-1-yl)ethanamine is sourced from PubChem (CID 66897903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).