ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine

C13H23N — CID 144723105

IUPACethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine
SMILESC=CC/C=C\CC/C=N/C=C\C.CC
InChIInChI=1S/C11H17N.C2H6/c1-3-5-6-7-8-9-11-12-10-4-2;1-2/h3-4,6-7,10-11H,1,5,8-9H2,2H3;1-2H3/b7-6-,10-4-,12-11+;
InChIKeyOLCHMFLCOJRLAD-KUDVKANKSA-N
MW193.33 g/mol
LogP4.53
Rot. Bonds6

About ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine

ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine (PubChem CID 144723105) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine.

Molecular Properties

Compound Nameethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine
PubChem CID144723105
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine
SMILESC=CC/C=C\CC/C=N/C=C\C.CC
InChIInChI=1S/C11H17N.C2H6/c1-3-5-6-7-8-9-11-12-10-4-2;1-2/h3-4,6-7,10-11H,1,5,8-9H2,2H3;1-2H3/b7-6-,10-4-,12-11+;
InChIKeyOLCHMFLCOJRLAD-KUDVKANKSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
CID 143003949
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
4-Azanonatriene
CID 129782426
3-Methyl-3-(1-propenyl)pyrrole
CID 129786932
(2Z,6Z)-4,5-dihydroazocine
CID 18424410
(4Z,8Z)-1-azacyclododeca-4,8,12-triene
CID 20405358
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
3,4-Dihydroazocine
CID 53716428
3,4-Dihydropyridine;ethane
CID 53729493
1-Azacyclododeca-4,8,12-triene
CID 53824618
N-but-1-enylbutan-1-imine
CID 53833808

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine?
The IUPAC name of ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine (CID 144723105) is ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine.
What is the SMILES notation for ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine?
The canonical SMILES for ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine is C=CC/C=C\CC/C=N/C=C\C.CC.
What is the InChIKey of ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine?
The InChIKey is OLCHMFLCOJRLAD-KUDVKANKSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-3-5-6-7-8-9-11-12-10-4-2;1-2/h3-4,6-7,10-11H,1,5,8-9H2,2H3;1-2H3/b7-6-,10-4-,12-11+;.
What are the key properties of ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine?
ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-N-[(Z)-prop-1-enyl]octa-4,7-dien-1-imine is sourced from PubChem (CID 144723105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).