3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine

C14H23N5 — CID 66134443

IUPAC3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine
SMILESCCc1nc(-c2cncn2CC)c(N)n1C(C)(C)C
InChIInChI=1S/C14H23N5/c1-6-11-17-12(10-8-16-9-18(10)7-2)13(15)19(11)14(3,4)5/h8-9H,6-7,15H2,1-5H3
InChIKeyRHGPNMXILNDUOK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.67
Rot. Bonds3

About 3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine

3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine (PubChem CID 66134443) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine
PubChem CID66134443
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine
SMILESCCc1nc(-c2cncn2CC)c(N)n1C(C)(C)C
InChIInChI=1S/C14H23N5/c1-6-11-17-12(10-8-16-9-18(10)7-2)13(15)19(11)14(3,4)5/h8-9H,6-7,15H2,1-5H3
InChIKeyRHGPNMXILNDUOK-UHFFFAOYSA-N
XLogP2.67
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.67
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-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine (CID 66134443) is 3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine is CCc1nc(-c2cncn2CC)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine?
The InChIKey is RHGPNMXILNDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-6-11-17-12(10-8-16-9-18(10)7-2)13(15)19(11)14(3,4)5/h8-9H,6-7,15H2,1-5H3.
What are the key properties of 3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine?
3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 66134443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).