ethane;(5Z)-N-ethylocta-5,7-dien-4-imine

C12H23N — CID 144693493

IUPACethane;(5Z)-N-ethylocta-5,7-dien-4-imine
SMILESC=C/C=C\C(CCC)=N\CC.CC
InChIInChI=1S/C10H17N.C2H6/c1-4-7-9-10(8-5-2)11-6-3;1-2/h4,7,9H,1,5-6,8H2,2-3H3;1-2H3/b9-7-,11-10+;
InChIKeyJSHNAYLWSVAMRX-SVDMMFKNSA-N
MW181.32 g/mol
LogP4.02
Rot. Bonds5

About ethane;(5Z)-N-ethylocta-5,7-dien-4-imine

ethane;(5Z)-N-ethylocta-5,7-dien-4-imine (PubChem CID 144693493) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is ethane;(5Z)-N-ethylocta-5,7-dien-4-imine.

Molecular Properties

Compound Nameethane;(5Z)-N-ethylocta-5,7-dien-4-imine
PubChem CID144693493
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameethane;(5Z)-N-ethylocta-5,7-dien-4-imine
SMILESC=C/C=C\C(CCC)=N\CC.CC
InChIInChI=1S/C10H17N.C2H6/c1-4-7-9-10(8-5-2)11-6-3;1-2/h4,7,9H,1,5-6,8H2,2-3H3;1-2H3/b9-7-,11-10+;
InChIKeyJSHNAYLWSVAMRX-SVDMMFKNSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 442650
Nigrifactin
CID 5281688
2-Pentylazocine
CID 57095178
6-Ethyl-2,3-dihydropyridine
CID 58693567
2-fluoro-N-pentylcyclohexa-2,4-dien-1-imine
CID 67831795
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
CID 156851749
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
CID 101338172
2-butyl-5-hepta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 600717
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CID 134989384
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CID 145143636

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-N-ethylocta-5,7-dien-4-imine?
The IUPAC name of ethane;(5Z)-N-ethylocta-5,7-dien-4-imine (CID 144693493) is ethane;(5Z)-N-ethylocta-5,7-dien-4-imine.
What is the SMILES notation for ethane;(5Z)-N-ethylocta-5,7-dien-4-imine?
The canonical SMILES for ethane;(5Z)-N-ethylocta-5,7-dien-4-imine is C=C/C=C\C(CCC)=N\CC.CC.
What is the InChIKey of ethane;(5Z)-N-ethylocta-5,7-dien-4-imine?
The InChIKey is JSHNAYLWSVAMRX-SVDMMFKNSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-4-7-9-10(8-5-2)11-6-3;1-2/h4,7,9H,1,5-6,8H2,2-3H3;1-2H3/b9-7-,11-10+;.
What are the key properties of ethane;(5Z)-N-ethylocta-5,7-dien-4-imine?
ethane;(5Z)-N-ethylocta-5,7-dien-4-imine has a molecular weight of 181.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-N-ethylocta-5,7-dien-4-imine is sourced from PubChem (CID 144693493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).