4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine

C18H27N3 — CID 123285812

IUPAC4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine
SMILESC=C(C=CC)C(C)=C1C(N)=NC=CN1C(=CC)CCCC
InChIInChI=1S/C18H27N3/c1-6-9-11-16(8-3)21-13-12-20-18(19)17(21)15(5)14(4)10-7-2/h7-8,10,12-13H,4,6,9,11H2,1-3,5H3,(H2,19,20)
InChIKeyVBGICZIAAZDMJA-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.63
Rot. Bonds6

About 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine

4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine (PubChem CID 123285812) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine.

Molecular Properties

Compound Name4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine
PubChem CID123285812
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine
SMILESC=C(C=CC)C(C)=C1C(N)=NC=CN1C(=CC)CCCC
InChIInChI=1S/C18H27N3/c1-6-9-11-16(8-3)21-13-12-20-18(19)17(21)15(5)14(4)10-7-2/h7-8,10,12-13H,4,6,9,11H2,1-3,5H3,(H2,19,20)
InChIKeyVBGICZIAAZDMJA-UHFFFAOYSA-N
XLogP4.63
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
(5Z,7Z)-2-cyclohexa-1,3-dien-1-yl-1-methyl-4-methylidene-1,3-diazocine
CID 68215789
N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide
CID 123139166
3-(3-Methylidenehex-4-en-2-ylidene)-4-pentylpyrazin-2-amine
CID 123349378
4-Hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine
CID 123598870
4-(Diethylamino)cyclohexa-1,3-diene-1-carboximidamide
CID 123620499
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
N'-cyclopropyl-2-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]-3,4-dihydropyridine-6-carboximidamide
CID 129238758

Frequently Asked Questions

What is the IUPAC name of 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine?
The IUPAC name of 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine (CID 123285812) is 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine.
What is the SMILES notation for 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine?
The canonical SMILES for 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine is C=C(C=CC)C(C)=C1C(N)=NC=CN1C(=CC)CCCC.
What is the InChIKey of 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine?
The InChIKey is VBGICZIAAZDMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-9-11-16(8-3)21-13-12-20-18(19)17(21)15(5)14(4)10-7-2/h7-8,10,12-13H,4,6,9,11H2,1-3,5H3,(H2,19,20).
What are the key properties of 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine?
4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine has a molecular weight of 285.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine is sourced from PubChem (CID 123285812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).