3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine

C17H27N3 — CID 123994608

IUPAC3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine
SMILESC=C(CCCC)N1C=CN=C(N)C1=C(CC)CC=CC
InChIInChI=1S/C17H27N3/c1-5-8-10-14(4)20-13-12-19-17(18)16(20)15(7-3)11-9-6-2/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H2,18,19)
InChIKeyLDYXOSNTEKFHPD-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.46
Rot. Bonds7

About 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine

3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine (PubChem CID 123994608) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine
PubChem CID123994608
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine
SMILESC=C(CCCC)N1C=CN=C(N)C1=C(CC)CC=CC
InChIInChI=1S/C17H27N3/c1-5-8-10-14(4)20-13-12-19-17(18)16(20)15(7-3)11-9-6-2/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H2,18,19)
InChIKeyLDYXOSNTEKFHPD-UHFFFAOYSA-N
XLogP4.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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
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-(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
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
(3Z)-3-[amino-[5-[1-[[(3Z,5Z)-4-ethylhepta-1,3,5-trien-2-yl]amino]ethenyl]cyclohepta-1,4,6-trien-1-yl]methylidene]-4-[3-[ethyl-[(3E)-hepta-1,3-dien-2-yl]amino]hexan-2-yl]pyrazin-2-amine
CID 166775315

Frequently Asked Questions

What is the IUPAC name of 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine?
The IUPAC name of 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine (CID 123994608) is 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine.
What is the SMILES notation for 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine?
The canonical SMILES for 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine is C=C(CCCC)N1C=CN=C(N)C1=C(CC)CC=CC.
What is the InChIKey of 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine?
The InChIKey is LDYXOSNTEKFHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-8-10-14(4)20-13-12-19-17(18)16(20)15(7-3)11-9-6-2/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H2,18,19).
What are the key properties of 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine?
3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine is sourced from PubChem (CID 123994608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).