3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine

C19H29N3 — CID 123787402

IUPAC3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine
SMILESC=C(C=CC)C(C)=C1C(N)=NC=CN1C(=CC)CCCCC
InChIInChI=1S/C19H29N3/c1-6-9-10-12-17(8-3)22-14-13-21-19(20)18(22)16(5)15(4)11-7-2/h7-8,11,13-14H,4,6,9-10,12H2,1-3,5H3,(H2,20,21)
InChIKeyQLYXXHGRPPOPPL-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.02
Rot. Bonds7

About 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine

3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine (PubChem CID 123787402) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine
PubChem CID123787402
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine
SMILESC=C(C=CC)C(C)=C1C(N)=NC=CN1C(=CC)CCCCC
InChIInChI=1S/C19H29N3/c1-6-9-10-12-17(8-3)22-14-13-21-19(20)18(22)16(5)15(4)11-7-2/h7-8,11,13-14H,4,6,9-10,12H2,1-3,5H3,(H2,20,21)
InChIKeyQLYXXHGRPPOPPL-UHFFFAOYSA-N
XLogP5.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-3-(2-methylidenepent-3-enylidene)-4-(2-methylpentyl)pyrazin-2-amine
CID 123682024
N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide
CID 123139166
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
5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine
CID 123473090
4-Hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine
CID 123598870
4-Hex-1-en-2-yl-3-hex-4-en-2-ylidenepyrazin-2-amine
CID 123784128
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
N'-cyclopropyl-2-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]-3,4-dihydropyridine-6-carboximidamide
CID 129238758
(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 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine?
The IUPAC name of 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine (CID 123787402) is 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine?
The canonical SMILES for 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine is C=C(C=CC)C(C)=C1C(N)=NC=CN1C(=CC)CCCCC.
What is the InChIKey of 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine?
The InChIKey is QLYXXHGRPPOPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-6-9-10-12-17(8-3)22-14-13-21-19(20)18(22)16(5)15(4)11-7-2/h7-8,11,13-14H,4,6,9-10,12H2,1-3,5H3,(H2,20,21).
What are the key properties of 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine?
3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine has a molecular weight of 299.46 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine is sourced from PubChem (CID 123787402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).