3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine

C14H25N3 — CID 62226356

IUPAC3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine
SMILESCc1nc(C2CCCCC2)c(N)n1C(C)(C)C
InChIInChI=1S/C14H25N3/c1-10-16-12(11-8-6-5-7-9-11)13(15)17(10)14(2,3)4/h11H,5-9,15H2,1-4H3
InChIKeyNVQXACPVVYJCEX-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.58
Rot. Bonds1

About 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine

3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine (PubChem CID 62226356) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine
PubChem CID62226356
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine
SMILESCc1nc(C2CCCCC2)c(N)n1C(C)(C)C
InChIInChI=1S/C14H25N3/c1-10-16-12(11-8-6-5-7-9-11)13(15)17(10)14(2,3)4/h11H,5-9,15H2,1-4H3
InChIKeyNVQXACPVVYJCEX-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine (CID 62226356) is 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine is Cc1nc(C2CCCCC2)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine?
The InChIKey is NVQXACPVVYJCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10-16-12(11-8-6-5-7-9-11)13(15)17(10)14(2,3)4/h11H,5-9,15H2,1-4H3.
What are the key properties of 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine?
3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine has a molecular weight of 235.38 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine is sourced from PubChem (CID 62226356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).