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

C11H20N2 — CID 143785621

IUPACethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
SMILESC=CC1=C(N=C)CCN(C)C1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-8-7-11(3)6-5-9(8)10-2;1-2/h4H,1-2,5-7H2,3H3;1-2H3
InChIKeyJBLXXOMRQNOPDU-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.49
Rot. Bonds2

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

ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine (PubChem CID 143785621) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
PubChem CID143785621
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
SMILESC=CC1=C(N=C)CCN(C)C1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-8-7-11(3)6-5-9(8)10-2;1-2/h4H,1-2,5-7H2,3H3;1-2H3
InChIKeyJBLXXOMRQNOPDU-UHFFFAOYSA-N
XLogP2.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.49
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

(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine
CID 139471562
Bis(diethylamino)fulvene
CID 129655938
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane
CID 91202514
N-(1-ethenyl-5,6-dimethyl-2H-pyridin-4-yl)ethanimine
CID 123272238
N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine
CID 126687783
N,N,N'-trimethyl-N'-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propane-1,3-diamine
CID 130183358
N-[(Z)-1-(2-ethyl-1-methyl-2H-pyridin-5-yl)-2-methylpent-1-enyl]methanimine
CID 132125343
N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 134286368
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium
CID 136380176
ethane;(5Z)-5-ethylidene-1-methyl-6-propan-2-ylidene-2H-pyridine
CID 141869152
ethane;N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
CID 142384191
N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine
CID 142827481

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?
The IUPAC name of ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine (CID 143785621) is ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine.
What is the SMILES notation for ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?
The canonical SMILES for ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine is C=CC1=C(N=C)CCN(C)C1.CC.
What is the InChIKey of ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?
The InChIKey is JBLXXOMRQNOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-8-7-11(3)6-5-9(8)10-2;1-2/h4H,1-2,5-7H2,3H3;1-2H3.
What are the key properties of ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine has a molecular weight of 180.29 g/mol, XLogP of 2.49, 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)methanimine is sourced from PubChem (CID 143785621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).