ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine

C12H22N2 — CID 142110792

IUPACethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine
SMILESC=CC1=C(N=C(C)C)NCCC1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-9-6-5-7-11-10(9)12-8(2)3;1-2/h4,11H,1,5-7H2,2-3H3;1-2H3
InChIKeyYTQGZSUFHRLARN-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds2

About ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine

ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine (PubChem CID 142110792) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine
PubChem CID142110792
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine
SMILESC=CC1=C(N=C(C)C)NCCC1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-9-6-5-7-11-10(9)12-8(2)3;1-2/h4,11H,1,5-7H2,2-3H3;1-2H3
InChIKeyYTQGZSUFHRLARN-UHFFFAOYSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
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

N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 134277273
ethane;N-(5-ethenyl-4-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 141904438
ethane;(Z)-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)ethanimine;molecular hydrogen
CID 141921413
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
2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine
CID 143997754
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 144168205
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 144374242
ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine
CID 144819824

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine?
The IUPAC name of ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine (CID 142110792) is ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine.
What is the SMILES notation for ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine?
The canonical SMILES for ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine is C=CC1=C(N=C(C)C)NCCC1.CC.
What is the InChIKey of ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine?
The InChIKey is YTQGZSUFHRLARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-4-9-6-5-7-11-10(9)12-8(2)3;1-2/h4,11H,1,5-7H2,2-3H3;1-2H3.
What are the key properties of ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine?
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine has a molecular weight of 194.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine is sourced from PubChem (CID 142110792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).