ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine

C8H17NO — CID 143163456

IUPACethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)OC.CC
InChIInChI=1S/C6H11NO.C2H6/c1-4-7-5-6(2)8-3;1-2/h4-5H,1-3H3;1-2H3/b6-5-,7-4+;
InChIKeyYUUBWEFTVHEJIC-BIFKCLKRSA-N
MW143.23 g/mol
LogP2.61
Rot. Bonds2

About ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine

ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine (PubChem CID 143163456) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine
PubChem CID143163456
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)OC.CC
InChIInChI=1S/C6H11NO.C2H6/c1-4-7-5-6(2)8-3;1-2/h4-5H,1-3H3;1-2H3/b6-5-,7-4+;
InChIKeyYUUBWEFTVHEJIC-BIFKCLKRSA-N
XLogP2.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine?
The IUPAC name of ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine (CID 143163456) is ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine.
What is the SMILES notation for ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine?
The canonical SMILES for ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine is C/C=N/C=C(/C)OC.CC.
What is the InChIKey of ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine?
The InChIKey is YUUBWEFTVHEJIC-BIFKCLKRSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-4-7-5-6(2)8-3;1-2/h4-5H,1-3H3;1-2H3/b6-5-,7-4+;.
What are the key properties of ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine?
ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine has a molecular weight of 143.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine is sourced from PubChem (CID 143163456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).