1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine

C14H16N2 — CID 144754527

IUPAC1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine
SMILESC=Cc1c(N=C)ccc(/C=N/C)c1/C=C\C
InChIInChI=1S/C14H16N2/c1-5-7-13-11(10-15-3)8-9-14(16-4)12(13)6-2/h5-10H,2,4H2,1,3H3/b7-5-,15-10+
InChIKeyHMWLAEMVCQSZBF-VHLXWLPASA-N
MW212.30 g/mol
LogP3.74
Rot. Bonds4

About 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine

1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine (PubChem CID 144754527) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine
PubChem CID144754527
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine
SMILESC=Cc1c(N=C)ccc(/C=N/C)c1/C=C\C
InChIInChI=1S/C14H16N2/c1-5-7-13-11(10-15-3)8-9-14(16-4)12(13)6-2/h5-10H,2,4H2,1,3H3/b7-5-,15-10+
InChIKeyHMWLAEMVCQSZBF-VHLXWLPASA-N
XLogP3.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine?
The IUPAC name of 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine (CID 144754527) is 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine?
The canonical SMILES for 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine is C=Cc1c(N=C)ccc(/C=N/C)c1/C=C\C.
What is the InChIKey of 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine?
The InChIKey is HMWLAEMVCQSZBF-VHLXWLPASA-N. The full InChI is InChI=1S/C14H16N2/c1-5-7-13-11(10-15-3)8-9-14(16-4)12(13)6-2/h5-10H,2,4H2,1,3H3/b7-5-,15-10+.
What are the key properties of 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine?
1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine has a molecular weight of 212.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-4-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-methylmethanimine is sourced from PubChem (CID 144754527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).