ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine

C10H19NO — CID 145479444

IUPACethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine
SMILESCC.[H]/N=C/C=C\C(=C)CCOC
InChIInChI=1S/C8H13NO.C2H6/c1-8(4-3-6-9)5-7-10-2;1-2/h3-4,6,9H,1,5,7H2,2H3;1-2H3/b4-3-,9-6+;
InChIKeyNRPAOSKTDXETIG-HDPQWJJESA-N
MW169.27 g/mol
LogP2.81
Rot. Bonds5

About ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine

ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine (PubChem CID 145479444) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine
PubChem CID145479444
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine
SMILESCC.[H]/N=C/C=C\C(=C)CCOC
InChIInChI=1S/C8H13NO.C2H6/c1-8(4-3-6-9)5-7-10-2;1-2/h3-4,6,9H,1,5,7H2,2H3;1-2H3/b4-3-,9-6+;
InChIKeyNRPAOSKTDXETIG-HDPQWJJESA-N
XLogP2.81
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine?
The IUPAC name of ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine (CID 145479444) is ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine?
The canonical SMILES for ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine is CC.[H]/N=C/C=C\C(=C)CCOC.
What is the InChIKey of ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine?
The InChIKey is NRPAOSKTDXETIG-HDPQWJJESA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-8(4-3-6-9)5-7-10-2;1-2/h3-4,6,9H,1,5,7H2,2H3;1-2H3/b4-3-,9-6+;.
What are the key properties of ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine?
ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine has a molecular weight of 169.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-6-methoxy-4-methylidenehex-2-en-1-imine is sourced from PubChem (CID 145479444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).