ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine

C19H30N2 — CID 142561383

IUPACethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
SMILESC=CC1=C(/N=C/C)C(=N\C=C/C)/C(=C\C)C=C1.CC.CC
InChIInChI=1S/C15H18N2.2C2H6/c1-5-11-17-15-13(7-3)10-9-12(6-2)14(15)16-8-4;2*1-2/h5-11H,2H2,1,3-4H3;2*1-2H3/b11-5-,13-7-,16-8+,17-15-;;
InChIKeyZILZJPIAYOZVNV-AYABRIQXSA-N
MW286.46 g/mol
LogP6.06
Rot. Bonds3

About ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine

ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine (PubChem CID 142561383) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
PubChem CID142561383
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Nameethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
SMILESC=CC1=C(/N=C/C)C(=N\C=C/C)/C(=C\C)C=C1.CC.CC
InChIInChI=1S/C15H18N2.2C2H6/c1-5-11-17-15-13(7-3)10-9-12(6-2)14(15)16-8-4;2*1-2/h5-11H,2H2,1,3-4H3;2*1-2H3/b11-5-,13-7-,16-8+,17-15-;;
InChIKeyZILZJPIAYOZVNV-AYABRIQXSA-N
XLogP6.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
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Frequently Asked Questions

What is the IUPAC name of ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine (CID 142561383) is ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine is C=CC1=C(/N=C/C)C(=N\C=C/C)/C(=C\C)C=C1.CC.CC.
What is the InChIKey of ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is ZILZJPIAYOZVNV-AYABRIQXSA-N. The full InChI is InChI=1S/C15H18N2.2C2H6/c1-5-11-17-15-13(7-3)10-9-12(6-2)14(15)16-8-4;2*1-2/h5-11H,2H2,1,3-4H3;2*1-2H3/b11-5-,13-7-,16-8+,17-15-;;.
What are the key properties of ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine?
ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 286.46 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6Z)-3-ethenyl-6-ethylidene-2-(ethylideneamino)-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142561383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).