1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine

C12H15N — CID 13143516

IUPAC1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine
SMILESC/C=C/N=C(\C)c1cccc(C)c1
InChIInChI=1S/C12H15N/c1-4-8-13-11(3)12-7-5-6-10(2)9-12/h4-9H,1-3H3/b8-4+,13-11+
InChIKeyWKRVWOBQEVBXKQ-RDUCJDMCSA-N
MW173.26 g/mol
LogP3.34
Rot. Bonds2

About 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine

1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine (PubChem CID 13143516) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine
PubChem CID13143516
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine
SMILESC/C=C/N=C(\C)c1cccc(C)c1
InChIInChI=1S/C12H15N/c1-4-8-13-11(3)12-7-5-6-10(2)9-12/h4-9H,1-3H3/b8-4+,13-11+
InChIKeyWKRVWOBQEVBXKQ-RDUCJDMCSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
N-but-2-enoxy-1-(3-methylphenyl)ethanimine
CID 173323571
ethane;N-[(1Z)-3-(3-methylphenyl)buta-1,3-dienyl]propan-2-imine
CID 145022260
1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene
CID 123992267
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
N-[(Z)-prop-1-enyl]-1-pyridin-4-ylethanimine
CID 91982748
ethane;1-methyl-3-[(2E,4E)-7-methylocta-2,4,6-trien-4-yl]benzene
CID 143291684
ethane;2-(3-methylphenyl)-2-oxoacetaldehyde
CID 90798157
1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
CID 174069312
N-[(E)-but-2-enyl]-3-methylbenzamide
CID 178010009

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine?
The IUPAC name of 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine (CID 13143516) is 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine is C/C=C/N=C(\C)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine?
The InChIKey is WKRVWOBQEVBXKQ-RDUCJDMCSA-N. The full InChI is InChI=1S/C12H15N/c1-4-8-13-11(3)12-7-5-6-10(2)9-12/h4-9H,1-3H3/b8-4+,13-11+.
What are the key properties of 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine?
1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine has a molecular weight of 173.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine is sourced from PubChem (CID 13143516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).