2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine

C15H27N3 — CID 106738456

IUPAC2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine
SMILESCCC(CC)c1cncn1C(CN)C1CCCC1
InChIInChI=1S/C15H27N3/c1-3-12(4-2)15-10-17-11-18(15)14(9-16)13-7-5-6-8-13/h10-14H,3-9,16H2,1-2H3
InChIKeyUWXKNLGTGONHTN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.48
Rot. Bonds6

About 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine

2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine (PubChem CID 106738456) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine
PubChem CID106738456
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine
SMILESCCC(CC)c1cncn1C(CN)C1CCCC1
InChIInChI=1S/C15H27N3/c1-3-12(4-2)15-10-17-11-18(15)14(9-16)13-7-5-6-8-13/h10-14H,3-9,16H2,1-2H3
InChIKeyUWXKNLGTGONHTN-UHFFFAOYSA-N
XLogP3.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine (CID 106738456) is 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine is CCC(CC)c1cncn1C(CN)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine?
The InChIKey is UWXKNLGTGONHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-12(4-2)15-10-17-11-18(15)14(9-16)13-7-5-6-8-13/h10-14H,3-9,16H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine?
2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine is sourced from PubChem (CID 106738456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).