ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine

C18H28N2 — CID 142165994

IUPACethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine
SMILESC=C/N=C1\C(=C)C=CC(=C/C)/C1=N/C=C\C.CC.CC
InChIInChI=1S/C14H16N2.2C2H6/c1-5-10-16-14-12(6-2)9-8-11(4)13(14)15-7-3;2*1-2/h5-10H,3-4H2,1-2H3;2*1-2H3/b10-5-,12-6-,15-13+,16-14-;;
InChIKeyZKVBKXXTNUWBCK-LSPUQHEQSA-N
MW272.44 g/mol
LogP5.67
Rot. Bonds2

About ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine

ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine (PubChem CID 142165994) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine.

Molecular Properties

Compound Nameethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine
PubChem CID142165994
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Nameethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine
SMILESC=C/N=C1\C(=C)C=CC(=C/C)/C1=N/C=C\C.CC.CC
InChIInChI=1S/C14H16N2.2C2H6/c1-5-10-16-14-12(6-2)9-8-11(4)13(14)15-7-3;2*1-2/h5-10H,3-4H2,1-2H3;2*1-2H3/b10-5-,12-6-,15-13+,16-14-;;
InChIKeyZKVBKXXTNUWBCK-LSPUQHEQSA-N
XLogP5.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3,8-dimethylideneazecine
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2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
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(2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine
CID 163862604
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CID 129652699
Azabicyclodecadiene
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(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
CID 145143636
(3Z,4Z,6Z)-4-ethyl-7,8-dimethyl-3-[(Z)-3-methylpent-2-enylidene]-N-[(Z)-prop-1-enyl]-5-(trifluoromethyl)nona-4,6,8-trien-2-imine
CID 153577569
5-methyl-2-[(2Z,4Z)-6-methyl-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 153577633
1-N,2-N-dimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762105

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine?
The IUPAC name of ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine (CID 142165994) is ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine.
What is the SMILES notation for ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine?
The canonical SMILES for ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine is C=C/N=C1\C(=C)C=CC(=C/C)/C1=N/C=C\C.CC.CC.
What is the InChIKey of ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine?
The InChIKey is ZKVBKXXTNUWBCK-LSPUQHEQSA-N. The full InChI is InChI=1S/C14H16N2.2C2H6/c1-5-10-16-14-12(6-2)9-8-11(4)13(14)15-7-3;2*1-2/h5-10H,3-4H2,1-2H3;2*1-2H3/b10-5-,12-6-,15-13+,16-14-;;.
What are the key properties of ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine?
ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine has a molecular weight of 272.44 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine is sourced from PubChem (CID 142165994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).