butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine

C10H21NO — CID 145129610

IUPACbutane;N-[(E)-2-methoxyprop-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)OC.CCCC
InChIInChI=1S/C6H11NO.C4H10/c1-4-7-5-6(2)8-3;1-3-4-2/h4-5H,1-3H3;3-4H2,1-2H3/b6-5+,7-4+;
InChIKeyHIJRWCZPFXNMBH-CSXYFPIISA-N
MW171.28 g/mol
LogP3.39
Rot. Bonds3

About butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine

butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine (PubChem CID 145129610) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine.

Molecular Properties

Compound Namebutane;N-[(E)-2-methoxyprop-1-enyl]ethanimine
PubChem CID145129610
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namebutane;N-[(E)-2-methoxyprop-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)OC.CCCC
InChIInChI=1S/C6H11NO.C4H10/c1-4-7-5-6(2)8-3;1-3-4-2/h4-5H,1-3H3;3-4H2,1-2H3/b6-5+,7-4+;
InChIKeyHIJRWCZPFXNMBH-CSXYFPIISA-N
XLogP3.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

methoxyethane;N-[(Z)-prop-1-enyl]ethanimine
CID 142185121
N-[(Z)-2-methoxyprop-1-enyl]ethanimine
CID 142265858
ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine
CID 143163456
ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine
CID 143452721
ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine
CID 145443431
N-[(Z)-2-methoxyprop-1-enyl]methanimine
CID 145443432
[(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium
CID 146178526
N-[(E)-2-methoxyprop-1-enyl]methanimine
CID 156741271
[(Z)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium
CID 12220712
[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium
CID 134891180
N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine
CID 143452722
N-[(E)-2-methoxyprop-1-enyl]prop-2-en-1-imine
CID 144319146

Frequently Asked Questions

What is the IUPAC name of butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine?
The IUPAC name of butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine (CID 145129610) is butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine.
What is the SMILES notation for butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine?
The canonical SMILES for butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine is C/C=N/C=C(\C)OC.CCCC.
What is the InChIKey of butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine?
The InChIKey is HIJRWCZPFXNMBH-CSXYFPIISA-N. The full InChI is InChI=1S/C6H11NO.C4H10/c1-4-7-5-6(2)8-3;1-3-4-2/h4-5H,1-3H3;3-4H2,1-2H3/b6-5+,7-4+;.
What are the key properties of butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine?
butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine has a molecular weight of 171.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine is sourced from PubChem (CID 145129610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).