(Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine

C14H23N3 — CID 134312170

IUPAC(Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine
SMILESCc1nc(C(C)(C)C)c(C)nc1/C=C\C(C)N
InChIInChI=1S/C14H23N3/c1-9(15)7-8-12-10(2)17-13(11(3)16-12)14(4,5)6/h7-9H,15H2,1-6H3/b8-7-
InChIKeyGWJMQVXVPWJQIR-FPLPWBNLSA-N
MW233.36 g/mol
LogP2.75
Rot. Bonds2

About (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine

(Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine (PubChem CID 134312170) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine
PubChem CID134312170
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine
SMILESCc1nc(C(C)(C)C)c(C)nc1/C=C\C(C)N
InChIInChI=1S/C14H23N3/c1-9(15)7-8-12-10(2)17-13(11(3)16-12)14(4,5)6/h7-9H,15H2,1-6H3/b8-7-
InChIKeyGWJMQVXVPWJQIR-FPLPWBNLSA-N
XLogP2.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine?
The IUPAC name of (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine (CID 134312170) is (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine.
What is the SMILES notation for (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine?
The canonical SMILES for (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine is Cc1nc(C(C)(C)C)c(C)nc1/C=C\C(C)N.
What is the InChIKey of (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine?
The InChIKey is GWJMQVXVPWJQIR-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H23N3/c1-9(15)7-8-12-10(2)17-13(11(3)16-12)14(4,5)6/h7-9H,15H2,1-6H3/b8-7-.
What are the key properties of (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine?
(Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)but-3-en-2-amine is sourced from PubChem (CID 134312170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).