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

C10H21NO — CID 143452721

IUPACethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine
SMILESCC.CCC/C=N/C=C(/C)OC
InChIInChI=1S/C8H15NO.C2H6/c1-4-5-6-9-7-8(2)10-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3/b8-7-,9-6+;
InChIKeyVSENEKQQDANZJV-DAHMJHCMSA-N
MW171.28 g/mol
LogP3.39
Rot. Bonds4

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

ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine (PubChem CID 143452721) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine
PubChem CID143452721
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine
SMILESCC.CCC/C=N/C=C(/C)OC
InChIInChI=1S/C8H15NO.C2H6/c1-4-5-6-9-7-8(2)10-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3/b8-7-,9-6+;
InChIKeyVSENEKQQDANZJV-DAHMJHCMSA-N
XLogP3.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.39
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]butan-1-imine?
The IUPAC name of ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine (CID 143452721) is ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine.
What is the SMILES notation for ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine?
The canonical SMILES for ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine is CC.CCC/C=N/C=C(/C)OC.
What is the InChIKey of ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine?
The InChIKey is VSENEKQQDANZJV-DAHMJHCMSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-4-5-6-9-7-8(2)10-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3/b8-7-,9-6+;.
What are the key properties of ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine?
ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine has a molecular weight of 171.28 g/mol, XLogP of 3.39, 4 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]butan-1-imine is sourced from PubChem (CID 143452721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).