4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine

C17H27N3 — CID 123598870

IUPAC4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine
SMILESC=C(CCCC)N1C(C)=CN=C(N)C1=C(C)CC=CC
InChIInChI=1S/C17H27N3/c1-6-8-10-13(3)16-17(18)19-12-15(5)20(16)14(4)11-9-7-2/h6,8,12H,4,7,9-11H2,1-3,5H3,(H2,18,19)
InChIKeyWPPWDJLWMKVMDA-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.46
Rot. Bonds6

About 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine

4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine (PubChem CID 123598870) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine.

Molecular Properties

Compound Name4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine
PubChem CID123598870
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine
SMILESC=C(CCCC)N1C(C)=CN=C(N)C1=C(C)CC=CC
InChIInChI=1S/C17H27N3/c1-6-8-10-13(3)16-17(18)19-12-15(5)20(16)14(4)11-9-7-2/h6,8,12H,4,7,9-11H2,1-3,5H3,(H2,18,19)
InChIKeyWPPWDJLWMKVMDA-UHFFFAOYSA-N
XLogP4.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine
CID 123682024
(3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine
CID 134299720
4-Hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine
CID 123285812
3-(3-Methylidenehex-4-en-2-ylidene)-4-pentylpyrazin-2-amine
CID 123349378
4-Hex-1-en-2-yl-3-hex-4-en-2-ylidenepyrazin-2-amine
CID 123784128
3-(3-Methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine
CID 123787402
3-Hept-5-en-2-ylidene-4-methylpyrazin-2-amine
CID 123804231
3-Hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine
CID 123994608
4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine
CID 129060013
(3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine
CID 134299729

Frequently Asked Questions

What is the IUPAC name of 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine?
The IUPAC name of 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine (CID 123598870) is 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine.
What is the SMILES notation for 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine?
The canonical SMILES for 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine is C=C(CCCC)N1C(C)=CN=C(N)C1=C(C)CC=CC.
What is the InChIKey of 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine?
The InChIKey is WPPWDJLWMKVMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-6-8-10-13(3)16-17(18)19-12-15(5)20(16)14(4)11-9-7-2/h6,8,12H,4,7,9-11H2,1-3,5H3,(H2,18,19).
What are the key properties of 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine?
4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine is sourced from PubChem (CID 123598870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).