2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine

C15H23N5 — CID 66130315

IUPAC2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)C)nc(-c2cncn2C(C)C)c1N
InChIInChI=1S/C15H23N5/c1-6-7-19-14(16)13(18-15(19)10(2)3)12-8-17-9-20(12)11(4)5/h6,8-11H,1,7,16H2,2-5H3
InChIKeyORWSRQDYHVWYEY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.22
Rot. Bonds5

About 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine

2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine (PubChem CID 66130315) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine
PubChem CID66130315
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)C)nc(-c2cncn2C(C)C)c1N
InChIInChI=1S/C15H23N5/c1-6-7-19-14(16)13(18-15(19)10(2)3)12-8-17-9-20(12)11(4)5/h6,8-11H,1,7,16H2,2-5H3
InChIKeyORWSRQDYHVWYEY-UHFFFAOYSA-N
XLogP3.22
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine (CID 66130315) is 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C(C)C)nc(-c2cncn2C(C)C)c1N.
What is the InChIKey of 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is ORWSRQDYHVWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-6-7-19-14(16)13(18-15(19)10(2)3)12-8-17-9-20(12)11(4)5/h6,8-11H,1,7,16H2,2-5H3.
What are the key properties of 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine?
2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 66130315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).