ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine

C14H20N2 — CID 142388858

IUPACethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine
SMILESC=Cc1ccnc(C)c1/N=C/C=C\C.CC
InChIInChI=1S/C12H14N2.C2H6/c1-4-6-8-14-12-10(3)13-9-7-11(12)5-2;1-2/h4-9H,2H2,1,3H3;1-2H3/b6-4-,14-8+;
InChIKeyQKTLOGYSTLXQMM-VQBJHNTESA-N
MW216.33 g/mol
LogP4.34
Rot. Bonds3

About ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine

ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine (PubChem CID 142388858) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine
PubChem CID142388858
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Nameethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine
SMILESC=Cc1ccnc(C)c1/N=C/C=C\C.CC
InChIInChI=1S/C12H14N2.C2H6/c1-4-6-8-14-12-10(3)13-9-7-11(12)5-2;1-2/h4-9H,2H2,1,3H3;1-2H3/b6-4-,14-8+;
InChIKeyQKTLOGYSTLXQMM-VQBJHNTESA-N
XLogP4.34
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.34
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 ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine (CID 142388858) is ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine is C=Cc1ccnc(C)c1/N=C/C=C\C.CC.
What is the InChIKey of ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine?
The InChIKey is QKTLOGYSTLXQMM-VQBJHNTESA-N. The full InChI is InChI=1S/C12H14N2.C2H6/c1-4-6-8-14-12-10(3)13-9-7-11(12)5-2;1-2/h4-9H,2H2,1,3H3;1-2H3/b6-4-,14-8+;.
What are the key properties of ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine?
ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine has a molecular weight of 216.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine is sourced from PubChem (CID 142388858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).