2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine

C14H23N3 — CID 62220767

IUPAC2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)(C)C)nc(CC(C)C)c1N
InChIInChI=1S/C14H23N3/c1-7-8-17-12(15)11(9-10(2)3)16-13(17)14(4,5)6/h1,10H,8-9,15H2,2-6H3
InChIKeyVDIXKBHHNXRRJV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.59
Rot. Bonds3

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

2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine (PubChem CID 62220767) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
PubChem CID62220767
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)(C)C)nc(CC(C)C)c1N
InChIInChI=1S/C14H23N3/c1-7-8-17-12(15)11(9-10(2)3)16-13(17)14(4,5)6/h1,10H,8-9,15H2,2-6H3
InChIKeyVDIXKBHHNXRRJV-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.59
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-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine (CID 62220767) is 2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C(C)(C)C)nc(CC(C)C)c1N.
What is the InChIKey of 2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine?
The InChIKey is VDIXKBHHNXRRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-7-8-17-12(15)11(9-10(2)3)16-13(17)14(4,5)6/h1,10H,8-9,15H2,2-6H3.
What are the key properties of 2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine?
2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62220767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).