ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine

C13H26N2 — CID 144819824

IUPACethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine
SMILESC=C/C=N\C1=C(C)CCCN1.CC.CC
InChIInChI=1S/C9H14N2.2C2H6/c1-3-6-10-9-8(2)5-4-7-11-9;2*1-2/h3,6,11H,1,4-5,7H2,2H3;2*1-2H3/b10-6-;;
InChIKeyNCMCNTISTQIXON-LVLXLXDWSA-N
MW210.36 g/mol
LogP3.91
Rot. Bonds2

About ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine

ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine (PubChem CID 144819824) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine
PubChem CID144819824
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine
SMILESC=C/C=N\C1=C(C)CCCN1.CC.CC
InChIInChI=1S/C9H14N2.2C2H6/c1-3-6-10-9-8(2)5-4-7-11-9;2*1-2/h3,6,11H,1,4-5,7H2,2H3;2*1-2H3/b10-6-;;
InChIKeyNCMCNTISTQIXON-LVLXLXDWSA-N
XLogP3.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 90931769
6-(3-Methylbut-3-enyl)-1,2-dihydropyrimidine
CID 117656514
6-Methyl-2,11-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene
CID 123342946
ethane;2-ethyl-N-methyl-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
CID 141904448
ethane;(Z)-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)ethanimine;molecular hydrogen
CID 141921413
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine
CID 142110792
ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine
CID 142158786
(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine
CID 142348356
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen
CID 142348379
(3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine
CID 143997682
ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine
CID 143997689
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 144168205

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine (CID 144819824) is ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine is C=C/C=N\C1=C(C)CCCN1.CC.CC.
What is the InChIKey of ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine?
The InChIKey is NCMCNTISTQIXON-LVLXLXDWSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-3-6-10-9-8(2)5-4-7-11-9;2*1-2/h3,6,11H,1,4-5,7H2,2H3;2*1-2H3/b10-6-;;.
What are the key properties of ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine?
ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine has a molecular weight of 210.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine is sourced from PubChem (CID 144819824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).