ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine

C10H18N2 — CID 145093693

IUPACethane;(Z)-4-methylidenehept-2-ene-1,5-diimine
SMILESCC.[H]/N=C/C=C\C(=C)/C(CC)=N/[H]
InChIInChI=1S/C8H12N2.C2H6/c1-3-8(10)7(2)5-4-6-9;1-2/h4-6,9-10H,2-3H2,1H3;1-2H3/b5-4-,9-6+,10-8+;
InChIKeyQYKHNOMPQYCBJF-IITBDRACSA-N
MW166.27 g/mol
LogP3.20
Rot. Bonds4

About ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine

ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine (PubChem CID 145093693) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine.

Molecular Properties

Compound Nameethane;(Z)-4-methylidenehept-2-ene-1,5-diimine
PubChem CID145093693
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;(Z)-4-methylidenehept-2-ene-1,5-diimine
SMILESCC.[H]/N=C/C=C\C(=C)/C(CC)=N/[H]
InChIInChI=1S/C8H12N2.C2H6/c1-3-8(10)7(2)5-4-6-9;1-2/h4-6,9-10H,2-3H2,1H3;1-2H3/b5-4-,9-6+,10-8+;
InChIKeyQYKHNOMPQYCBJF-IITBDRACSA-N
XLogP3.20
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6E)-5-ethyl-6-(2-fluoropropyl)nona-4,6,8-triene-1,2-diimine
CID 91482859
4-Ethyl-5-fluoroocta-4,6-diene-1,3-diimine
CID 123282351
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
CID 166907396
(E,2Z,3E)-5-(1,1-difluoroethyl)-2,3-di(ethylidene)-1-N-methylhept-4-ene-1,6-diimine
CID 143763245
(2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine
CID 169165910
(2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine
CID 176928626
4-Methanimidoylcyclohexa-2,4-dien-1-imine
CID 22338342
(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine
CID 87310176
(6Z)-6-(2-iminoethylidene)cyclohexa-2,4-dien-1-imine
CID 88409253
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine
CID 88881826

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine?
The IUPAC name of ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine (CID 145093693) is ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine.
What is the SMILES notation for ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine?
The canonical SMILES for ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine is CC.[H]/N=C/C=C\C(=C)/C(CC)=N/[H].
What is the InChIKey of ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine?
The InChIKey is QYKHNOMPQYCBJF-IITBDRACSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-3-8(10)7(2)5-4-6-9;1-2/h4-6,9-10H,2-3H2,1H3;1-2H3/b5-4-,9-6+,10-8+;.
What are the key properties of ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine?
ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine has a molecular weight of 166.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-methylidenehept-2-ene-1,5-diimine is sourced from PubChem (CID 145093693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).