ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine

C20H32N2 — CID 143912687

IUPACethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine
SMILESC=C/C=C1\CCCC(C=C)=C1/C(=C/C=C(\C)NN)CC.CC
InChIInChI=1S/C18H26N2.C2H6/c1-5-9-17-11-8-10-15(6-2)18(17)16(7-3)13-12-14(4)20-19;1-2/h5-6,9,12-13,20H,1-2,7-8,10-11,19H2,3-4H3;1-2H3/b14-12+,16-13+,17-9+;
InChIKeyHFZTZHXJPCAJOD-SMIPSNRPSA-N
MW300.49 g/mol
LogP5.49
Rot. Bonds6

About ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine

ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine (PubChem CID 143912687) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine.

Molecular Properties

Compound Nameethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine
PubChem CID143912687
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Nameethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine
SMILESC=C/C=C1\CCCC(C=C)=C1/C(=C/C=C(\C)NN)CC.CC
InChIInChI=1S/C18H26N2.C2H6/c1-5-9-17-11-8-10-15(6-2)18(17)16(7-3)13-12-14(4)20-19;1-2/h5-6,9,12-13,20H,1-2,7-8,10-11,19H2,3-4H3;1-2H3/b14-12+,16-13+,17-9+;
InChIKeyHFZTZHXJPCAJOD-SMIPSNRPSA-N
XLogP5.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine?
The IUPAC name of ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine (CID 143912687) is ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine.
What is the SMILES notation for ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine?
The canonical SMILES for ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine is C=C/C=C1\CCCC(C=C)=C1/C(=C/C=C(\C)NN)CC.CC.
What is the InChIKey of ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine?
The InChIKey is HFZTZHXJPCAJOD-SMIPSNRPSA-N. The full InChI is InChI=1S/C18H26N2.C2H6/c1-5-9-17-11-8-10-15(6-2)18(17)16(7-3)13-12-14(4)20-19;1-2/h5-6,9,12-13,20H,1-2,7-8,10-11,19H2,3-4H3;1-2H3/b14-12+,16-13+,17-9+;.
What are the key properties of ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine?
ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine has a molecular weight of 300.49 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2E,4E)-5-[(6E)-2-ethenyl-6-prop-2-enylidenecyclohexen-1-yl]hepta-2,4-dien-2-yl]hydrazine is sourced from PubChem (CID 143912687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).