ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine

C10H19N — CID 143330512

IUPACethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C/CC.CC
InChIInChI=1S/C8H13N.C2H6/c1-3-5-6-7-8-9-4-2;1-2/h4-8H,3H2,1-2H3;1-2H3/b6-5-,8-7-,9-4+;
InChIKeyDIPCQGWIPFIELI-WZXFTGQOSA-N
MW153.27 g/mol
LogP3.58
Rot. Bonds3

About ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine

ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine (PubChem CID 143330512) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine
PubChem CID143330512
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C/CC.CC
InChIInChI=1S/C8H13N.C2H6/c1-3-5-6-7-8-9-4-2;1-2/h4-8H,3H2,1-2H3;1-2H3/b6-5-,8-7-,9-4+;
InChIKeyDIPCQGWIPFIELI-WZXFTGQOSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.58
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

N-[(E)-but-1-enyl]ethanimine
CID 147915693
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(5E)-octa-3,5-diene
CID 173104147
N-[(1Z)-penta-1,3-dienyl]ethanimine
CID 91245068
N-hexa-1,3-dienylmethanimine
CID 123963868
ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine
CID 145278225
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine
CID 143743991
N'-ethylidene-N-methylprop-2-ene-1,3-diimine
CID 91250307
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
(Z)-4-(ethylideneamino)but-3-en-1-amine
CID 89468696

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine?
The IUPAC name of ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine (CID 143330512) is ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine.
What is the SMILES notation for ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine?
The canonical SMILES for ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine is C/C=N/C=C\C=C/CC.CC.
What is the InChIKey of ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine?
The InChIKey is DIPCQGWIPFIELI-WZXFTGQOSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-3-5-6-7-8-9-4-2;1-2/h4-8H,3H2,1-2H3;1-2H3/b6-5-,8-7-,9-4+;.
What are the key properties of ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine?
ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine has a molecular weight of 153.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine is sourced from PubChem (CID 143330512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).