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

C19H30N2 — CID 142074931

IUPACethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine
SMILESC=C/N=C1/C(=C\C)/C=CC(=C/C)/C1=N\C=C/C.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,4H2,1-3H3;2*1-2H3/b11-5-,12-6-,13-7-,16-14-,17-15+;;
InChIKeyAOPJMFAWXATQME-AFCNFWDSSA-N
MW286.46 g/mol
LogP6.06
Rot. Bonds2

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

ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine (PubChem CID 142074931) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine.

Molecular Properties

Compound Nameethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine
PubChem CID142074931
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Nameethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine
SMILESC=C/N=C1/C(=C\C)/C=CC(=C/C)/C1=N\C=C/C.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,4H2,1-3H3;2*1-2H3/b11-5-,12-6-,13-7-,16-14-,17-15+;;
InChIKeyAOPJMFAWXATQME-AFCNFWDSSA-N
XLogP6.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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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
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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine?
The IUPAC name of ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine (CID 142074931) is ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine.
What is the SMILES notation for ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine?
The canonical SMILES for ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine is C=C/N=C1/C(=C\C)/C=CC(=C/C)/C1=N\C=C/C.CC.CC.
What is the InChIKey of ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine?
The InChIKey is AOPJMFAWXATQME-AFCNFWDSSA-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,4H2,1-3H3;2*1-2H3/b11-5-,12-6-,13-7-,16-14-,17-15+;;.
What are the key properties of ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine?
ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine has a molecular weight of 286.46 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine is sourced from PubChem (CID 142074931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).