3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine

C14H21N5 — CID 66116831

IUPAC3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine
SMILESCn1cncc1-c1nc(C2CC2)n(C(C)(C)C)c1N
InChIInChI=1S/C14H21N5/c1-14(2,3)19-12(15)11(10-7-16-8-18(10)4)17-13(19)9-5-6-9/h7-9H,5-6,15H2,1-4H3
InChIKeyRQQQOWIHEKTPPT-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.50
Rot. Bonds2

About 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine

3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine (PubChem CID 66116831) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine
PubChem CID66116831
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine
SMILESCn1cncc1-c1nc(C2CC2)n(C(C)(C)C)c1N
InChIInChI=1S/C14H21N5/c1-14(2,3)19-12(15)11(10-7-16-8-18(10)4)17-13(19)9-5-6-9/h7-9H,5-6,15H2,1-4H3
InChIKeyRQQQOWIHEKTPPT-UHFFFAOYSA-N
XLogP2.50
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine (CID 66116831) is 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine is Cn1cncc1-c1nc(C2CC2)n(C(C)(C)C)c1N.
What is the InChIKey of 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine?
The InChIKey is RQQQOWIHEKTPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-14(2,3)19-12(15)11(10-7-16-8-18(10)4)17-13(19)9-5-6-9/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine?
3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 66116831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).