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

C9H21NO — CID 145443431

IUPACethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine
SMILESC=N/C=C(/C)OC.CC.CC
InChIInChI=1S/C5H9NO.2C2H6/c1-5(7-3)4-6-2;2*1-2/h4H,2H2,1,3H3;2*1-2H3/b5-4-;;
InChIKeyKNMJPXKDANKRIX-WNCVTPEDSA-N
MW159.27 g/mol
LogP3.25
Rot. Bonds2

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

ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine (PubChem CID 145443431) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine
PubChem CID145443431
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine
SMILESC=N/C=C(/C)OC.CC.CC
InChIInChI=1S/C5H9NO.2C2H6/c1-5(7-3)4-6-2;2*1-2/h4H,2H2,1,3H3;2*1-2H3/b5-4-;;
InChIKeyKNMJPXKDANKRIX-WNCVTPEDSA-N
XLogP3.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 53.25
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]methanimine?
The IUPAC name of ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine (CID 145443431) is ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine.
What is the SMILES notation for ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine?
The canonical SMILES for ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine is C=N/C=C(/C)OC.CC.CC.
What is the InChIKey of ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine?
The InChIKey is KNMJPXKDANKRIX-WNCVTPEDSA-N. The full InChI is InChI=1S/C5H9NO.2C2H6/c1-5(7-3)4-6-2;2*1-2/h4H,2H2,1,3H3;2*1-2H3/b5-4-;;.
What are the key properties of ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine?
ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine has a molecular weight of 159.27 g/mol, XLogP of 3.25, 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]methanimine is sourced from PubChem (CID 145443431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).