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

C17H31N — CID 145330446

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 Nameethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine
PubChem CID145330446
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Nameethane;(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
XLogP4.30
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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).