ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine

C12H22N2 — CID 143431654

IUPACethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CCN(C)C1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-9-8-12(3)7-6-10(9)11-5-2;1-2/h4-5H,1,6-8H2,2-3H3;1-2H3/b11-5+;
InChIKeyLJSQEBMIFQSLCD-HMXKFKBXSA-N
MW194.32 g/mol
LogP2.88
Rot. Bonds2

About ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine

ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine (PubChem CID 143431654) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
PubChem CID143431654
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CCN(C)C1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-9-8-12(3)7-6-10(9)11-5-2;1-2/h4-5H,1,6-8H2,2-3H3;1-2H3/b11-5+;
InChIKeyLJSQEBMIFQSLCD-HMXKFKBXSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
CID 59188823
N-(1-ethenyl-5,6-dimethyl-2H-pyridin-4-yl)ethanimine
CID 123272238
N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
CID 123320059
3,4-Dimethylhepta-1,3,5-trien-2-yl-ethylidene-methylazanium
CID 123607054
Methylidene-(2-methylprop-2-enyl)-[4-(pent-3-enylideneamino)hexa-1,4-dien-2-yl]azanium
CID 123998959
3,4-Dimethylhepta-1,3,5-trien-2-yl-methyl-prop-2-enylideneazanium
CID 124013030
N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine
CID 126687783
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium
CID 139483932
[(3E,5Z)-3,4-dimethylhepta-1,3,5-trien-2-yl]-methyl-prop-2-enylideneazanium
CID 142402993
(3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine
CID 142957123
N-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]-N,6-dimethyl-3H-azepin-5-amine
CID 143271836

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine?
The IUPAC name of ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine (CID 143431654) is ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine.
What is the SMILES notation for ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine?
The canonical SMILES for ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine is C=CC1=C(/N=C/C)CCN(C)C1.CC.
What is the InChIKey of ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine?
The InChIKey is LJSQEBMIFQSLCD-HMXKFKBXSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-4-9-8-12(3)7-6-10(9)11-5-2;1-2/h4-5H,1,6-8H2,2-3H3;1-2H3/b11-5+;.
What are the key properties of ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine?
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine has a molecular weight of 194.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine is sourced from PubChem (CID 143431654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).