2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine

C16H25N3 — CID 55048559

IUPAC2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CCCC2)nc(C(C)CCC)c1N
InChIInChI=1S/C16H25N3/c1-4-8-12(3)14-15(17)19(11-5-2)16(18-14)13-9-6-7-10-13/h2,12-13H,4,6-11,17H2,1,3H3
InChIKeyGIUVPTYZNYPXOU-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.66
Rot. Bonds5

About 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine

2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine (PubChem CID 55048559) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine
PubChem CID55048559
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CCCC2)nc(C(C)CCC)c1N
InChIInChI=1S/C16H25N3/c1-4-8-12(3)14-15(17)19(11-5-2)16(18-14)13-9-6-7-10-13/h2,12-13H,4,6-11,17H2,1,3H3
InChIKeyGIUVPTYZNYPXOU-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine (CID 55048559) is 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C2CCCC2)nc(C(C)CCC)c1N.
What is the InChIKey of 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is GIUVPTYZNYPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-8-12(3)14-15(17)19(11-5-2)16(18-14)13-9-6-7-10-13/h2,12-13H,4,6-11,17H2,1,3H3.
What are the key properties of 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine?
2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 259.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 55048559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).