2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine

C13H19N3 — CID 62218449

IUPAC2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CC2)nc(CC(C)C)c1N
InChIInChI=1S/C13H19N3/c1-4-7-16-12(14)11(8-9(2)3)15-13(16)10-5-6-10/h1,9-10H,5-8,14H2,2-3H3
InChIKeyKSYCPCWPZIAKPX-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.17
Rot. Bonds4

About 2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine

2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine (PubChem CID 62218449) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
PubChem CID62218449
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CC2)nc(CC(C)C)c1N
InChIInChI=1S/C13H19N3/c1-4-7-16-12(14)11(8-9(2)3)15-13(16)10-5-6-10/h1,9-10H,5-8,14H2,2-3H3
InChIKeyKSYCPCWPZIAKPX-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.17
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-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine (CID 62218449) is 2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C2CC2)nc(CC(C)C)c1N.
What is the InChIKey of 2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine?
The InChIKey is KSYCPCWPZIAKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-7-16-12(14)11(8-9(2)3)15-13(16)10-5-6-10/h1,9-10H,5-8,14H2,2-3H3.
What are the key properties of 2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine?
2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine has a molecular weight of 217.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62218449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).