Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine

Name: Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₃₁N — CID 145330446

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine

SMILESCC.CC.CC.[H]/N=C/C=c1/cc(C)cc/c1=C/C

InChIInChI=1S/C11H13N.3C2H6/c1-3-10-5-4-9(2)8-11(10)6-7-12;3*1-2/h3-8,12H,1-2H3;3*1-2H3/b10-3-,11-6-,12-7+;;;

InChIKeyXZXIXAFGKWDODI-QPUSNOEQSA-N

MW249.44 g/mol

LogP4.30

Rot. Bonds1

About Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine

Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine (PubChem CID 145330446) has the molecular formula C₁₇H₃₁N and a molecular weight of 249.44 g/mol. Its IUPAC name is ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine.

Molecular Properties

Compound Name	Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine
PubChem CID	145330446
Molecular Formula	C₁₇H₃₁N
Molecular Weight	249.44 g/mol
Exact Mass	249.25
IUPAC Name	ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine
SMILES	CC.CC.CC.[H]/N=C/C=c1/cc(C)cc/c1=C/C
InChI	InChI=1S/C11H13N.3C2H6/c1-3-10-5-4-9(2)8-11(10)6-7-12;31-2/h3-8,12H,1-2H3;31-2H3/b10-3-,11-6-,12-7+;;;
InChIKey	XZXIXAFGKWDODI-QPUSNOEQSA-N
XLogP	4.30
TPSA	23.85 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.44
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine?

The IUPAC name of Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine (CID 145330446) is ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine.

What is the SMILES notation for Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine?

The canonical SMILES for Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine is CC.CC.CC.[H]/N=C/C=c1/cc(C)cc/c1=C/C.

What is the InChIKey of Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine?

The InChIKey is XZXIXAFGKWDODI-QPUSNOEQSA-N. The full InChI is InChI=1S/C11H13N.3C2H6/c1-3-10-5-4-9(2)8-11(10)6-7-12;3*1-2/h3-8,12H,1-2H3;3*1-2H3/b10-3-,11-6-,12-7+;;;.

What are the key properties of Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine?

Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine has a molecular weight of 249.44 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine is sourced from PubChem (CID 145330446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 145330446 — identifiers, structure, computed properties (public domain)

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