ethane;(2Z,4E)-hexa-2,4-dien-1-imine

C8H15N — CID 143495336

IUPACethane;(2Z,4E)-hexa-2,4-dien-1-imine
SMILESCC.[H]/N=C/C=C\C=C\C
InChIInChI=1S/C6H9N.C2H6/c1-2-3-4-5-6-7;1-2/h2-7H,1H3;1-2H3/b3-2+,5-4-,7-6+;
InChIKeyMRFWMJZLANHKRB-ZVVFISRDSA-N
MW125.21 g/mol
LogP2.79
Rot. Bonds2

About ethane;(2Z,4E)-hexa-2,4-dien-1-imine

ethane;(2Z,4E)-hexa-2,4-dien-1-imine (PubChem CID 143495336) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is ethane;(2Z,4E)-hexa-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2Z,4E)-hexa-2,4-dien-1-imine
PubChem CID143495336
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameethane;(2Z,4E)-hexa-2,4-dien-1-imine
SMILESCC.[H]/N=C/C=C\C=C\C
InChIInChI=1S/C6H9N.C2H6/c1-2-3-4-5-6-7;1-2/h2-7H,1H3;1-2H3/b3-2+,5-4-,7-6+;
InChIKeyMRFWMJZLANHKRB-ZVVFISRDSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
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

hexa-2,4-dien-1-imine
CID 86115777
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
octa-2,6-dien-1-imine
CID 172654188
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
(4E)-hexa-2,4-diene
CID 22435466
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
CID 173488054
cyclohexa-3,5-diene-1,2-diimine;(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 143547651
[(1Z,3Z)-penta-1,3-dienyl]diazene
CID 143919321
(Z)-N'-propylideneprop-2-ene-1,3-diimine
CID 123520631
potassium;hexa-2,4-diene;hydride
CID 174550949

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-hexa-2,4-dien-1-imine?
The IUPAC name of ethane;(2Z,4E)-hexa-2,4-dien-1-imine (CID 143495336) is ethane;(2Z,4E)-hexa-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2Z,4E)-hexa-2,4-dien-1-imine?
The canonical SMILES for ethane;(2Z,4E)-hexa-2,4-dien-1-imine is CC.[H]/N=C/C=C\C=C\C.
What is the InChIKey of ethane;(2Z,4E)-hexa-2,4-dien-1-imine?
The InChIKey is MRFWMJZLANHKRB-ZVVFISRDSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-2-3-4-5-6-7;1-2/h2-7H,1H3;1-2H3/b3-2+,5-4-,7-6+;.
What are the key properties of ethane;(2Z,4E)-hexa-2,4-dien-1-imine?
ethane;(2Z,4E)-hexa-2,4-dien-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-hexa-2,4-dien-1-imine is sourced from PubChem (CID 143495336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).