[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine

C11H19N3 — CID 145111049

IUPAC[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine
SMILESCN.[H]/N=C/N1CCC(C=C)=C(C=C)C1
InChIInChI=1S/C10H14N2.CH5N/c1-3-9-5-6-12(8-11)7-10(9)4-2;1-2/h3-4,8,11H,1-2,5-7H2;2H2,1H3/b11-8+;
InChIKeyXGHXXWPJEYTTKN-YGCVIUNWSA-N
MW193.29 g/mol
LogP1.54
Rot. Bonds3

About [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine

[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine (PubChem CID 145111049) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine.

Molecular Properties

Compound Name[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine
PubChem CID145111049
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine
SMILESCN.[H]/N=C/N1CCC(C=C)=C(C=C)C1
InChIInChI=1S/C10H14N2.CH5N/c1-3-9-5-6-12(8-11)7-10(9)4-2;1-2/h3-4,8,11H,1-2,5-7H2;2H2,1H3/b11-8+;
InChIKeyXGHXXWPJEYTTKN-YGCVIUNWSA-N
XLogP1.54
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(5-Methylidene-2,3,4,10-tetrahydroazecin-1-yl)methanimine
CID 123735616
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylethanimidamide
CID 142132215
4,5-bis(ethenyl)-N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 142863718
4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridine;methanamine
CID 143226112
4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 145110941
[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine
CID 145111050

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine?
The IUPAC name of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine (CID 145111049) is [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine.
What is the SMILES notation for [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine?
The canonical SMILES for [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine is CN.[H]/N=C/N1CCC(C=C)=C(C=C)C1.
What is the InChIKey of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine?
The InChIKey is XGHXXWPJEYTTKN-YGCVIUNWSA-N. The full InChI is InChI=1S/C10H14N2.CH5N/c1-3-9-5-6-12(8-11)7-10(9)4-2;1-2/h3-4,8,11H,1-2,5-7H2;2H2,1H3/b11-8+;.
What are the key properties of [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine?
[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanimine;methanamine is sourced from PubChem (CID 145111049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).