ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine

C14H24N2 — CID 143157640

IUPACethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine
SMILESCC.CC.[H]/N=C1\C=CCC=C\C1=C\N=C\C
InChIInChI=1S/C10H12N2.2C2H6/c1-2-12-8-9-6-4-3-5-7-10(9)11;2*1-2/h2,4-8,11H,3H2,1H3;2*1-2H3/b9-8-,11-10+,12-2+;;
InChIKeyJLOMYAOBXVKDKC-HCXYCOPYSA-N
MW220.36 g/mol
LogP4.55
Rot. Bonds1

About ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine

ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine (PubChem CID 143157640) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine.

Molecular Properties

Compound Nameethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine
PubChem CID143157640
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine
SMILESCC.CC.[H]/N=C1\C=CCC=C\C1=C\N=C\C
InChIInChI=1S/C10H12N2.2C2H6/c1-2-12-8-9-6-4-3-5-7-10(9)11;2*1-2/h2,4-8,11H,3H2,1H3;2*1-2H3/b9-8-,11-10+,12-2+;;
InChIKeyJLOMYAOBXVKDKC-HCXYCOPYSA-N
XLogP4.55
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-1,4-Benzodiazepine
CID 21162934
(1Z,4E)-1-(ethylideneamino)-5-[[(Z)-6-fluoro-5-methylidenehept-3-en-2-ylidene]amino]-4-methyl-3-methylidenepenta-1,4-dien-1-amine
CID 173816436
(3E,4Z)-3-(2-fluoroprop-2-enylidene)-2-(methyliminomethyl)hepta-1,4-dien-1-amine
CID 173818793
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
3-(2,3-dihydropyridin-5-yl)-2H-1,4-benzodiazepine
CID 69325564
7-Methylindol-6-imine
CID 69466877
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450
(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
CID 89159404
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
(Z)-N'-ethyl-N-methyl-4,5-dimethylidenehex-2-ene-1,6-diimine
CID 89672783
(6Z)-6-[1-(ethylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 89712823
(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 90349643

Frequently Asked Questions

What is the IUPAC name of ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine?
The IUPAC name of ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine (CID 143157640) is ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine.
What is the SMILES notation for ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine?
The canonical SMILES for ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine is CC.CC.[H]/N=C1\C=CCC=C\C1=C\N=C\C.
What is the InChIKey of ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine?
The InChIKey is JLOMYAOBXVKDKC-HCXYCOPYSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-2-12-8-9-6-4-3-5-7-10(9)11;2*1-2/h2,4-8,11H,3H2,1H3;2*1-2H3/b9-8-,11-10+,12-2+;;.
What are the key properties of ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine?
ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine has a molecular weight of 220.36 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7Z)-7-[(ethylideneamino)methylidene]cyclohepta-2,5-dien-1-imine is sourced from PubChem (CID 143157640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).