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

C11H20N2 — CID 142619167

IUPACethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine
SMILESC=CC1=C(N=C)N(C)CCC1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-8-6-5-7-11(3)9(8)10-2;1-2/h4H,1-2,5-7H2,3H3;1-2H3
InChIKeyKDUAHRQZULUKQP-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.84
Rot. Bonds2

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

ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine (PubChem CID 142619167) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine
PubChem CID142619167
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine
SMILESC=CC1=C(N=C)N(C)CCC1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-8-6-5-7-11(3)9(8)10-2;1-2/h4H,1-2,5-7H2,3H3;1-2H3
InChIKeyKDUAHRQZULUKQP-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen
CID 142348379
N-[4-[(Z)-but-2-enyl]-1-methyl-2,3-dihydropyrrol-5-yl]methanimine
CID 143468997
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
butane;N-[(1Z)-2-methyl-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
CID 145613960
ethane;N-[(1Z)-2-methyl-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
CID 145614084
N-[(Z)-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
CID 156727096
N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine
CID 170585730
N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine
CID 142619168
N-[(1Z)-2-methyl-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
CID 145613961

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine?
The IUPAC name of ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine (CID 142619167) is ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine.
What is the SMILES notation for ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine?
The canonical SMILES for ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine is C=CC1=C(N=C)N(C)CCC1.CC.
What is the InChIKey of ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine?
The InChIKey is KDUAHRQZULUKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-8-6-5-7-11(3)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-3,4-dihydro-2H-pyridin-6-yl)methanimine?
ethane;N-(5-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-6-yl)methanimine has a molecular weight of 180.29 g/mol, XLogP of 2.84, 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-3,4-dihydro-2H-pyridin-6-yl)methanimine is sourced from PubChem (CID 142619167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).