ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen

C12H26N2 — CID 142348379

IUPACethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen
SMILESC=CC1=C(N=C)NCCC1.CC.CC.[H][H]
InChIInChI=1S/C8H12N2.2C2H6.H2/c1-3-7-5-4-6-10-8(7)9-2;2*1-2;/h3,10H,1-2,4-6H2;2*1-2H3;1H
InChIKeyHOZHOMPUKVDRII-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.77
Rot. Bonds2

About ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen

ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen (PubChem CID 142348379) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen
PubChem CID142348379
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen
SMILESC=CC1=C(N=C)NCCC1.CC.CC.[H][H]
InChIInChI=1S/C8H12N2.2C2H6.H2/c1-3-7-5-4-6-10-8(7)9-2;2*1-2;/h3,10H,1-2,4-6H2;2*1-2H3;1H
InChIKeyHOZHOMPUKVDRII-UHFFFAOYSA-N
XLogP3.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.77
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

(Z)-2-ethenyl-N-ethyl-1-(methylideneamino)hex-1-en-1-amine
CID 126545551
N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 134277273
5-Ethenyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134341808
5-ethenyl-N-methyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134461848
5-ethenyl-N,N-dimethyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134510719
N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
CID 139448306
(1Z)-N-butyl-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;ethane
CID 141904432
ethane;N-(5-ethenyl-4-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 141904438
ethane;N-[4-methyl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
CID 141921307
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

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen?
The IUPAC name of ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen (CID 142348379) is ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen.
What is the SMILES notation for ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen?
The canonical SMILES for ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen is C=CC1=C(N=C)NCCC1.CC.CC.[H][H].
What is the InChIKey of ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen?
The InChIKey is HOZHOMPUKVDRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.2C2H6.H2/c1-3-7-5-4-6-10-8(7)9-2;2*1-2;/h3,10H,1-2,4-6H2;2*1-2H3;1H.
What are the key properties of ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen?
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen has a molecular weight of 198.35 g/mol, XLogP of 3.77, 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)methanimine;molecular hydrogen is sourced from PubChem (CID 142348379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).