(3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine

C11H19N3 — CID 143997682

IUPAC(3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine
SMILESC=CC1=C(/N=C(\C)CCN)NCCC1
InChIInChI=1S/C11H19N3/c1-3-10-5-4-8-13-11(10)14-9(2)6-7-12/h3,13H,1,4-8,12H2,2H3/b14-9+
InChIKeyDPMCIYNHLGYPNK-NTEUORMPSA-N
MW193.29 g/mol
LogP1.58
Rot. Bonds4

About (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine

(3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine (PubChem CID 143997682) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine.

Molecular Properties

Compound Name(3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine
PubChem CID143997682
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine
SMILESC=CC1=C(/N=C(\C)CCN)NCCC1
InChIInChI=1S/C11H19N3/c1-3-10-5-4-8-13-11(10)14-9(2)6-7-12/h3,13H,1,4-8,12H2,2H3/b14-9+
InChIKeyDPMCIYNHLGYPNK-NTEUORMPSA-N
XLogP1.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine
CID 142348356
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen
CID 142348379
2-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-b]azepine
CID 142943251
ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine
CID 143997689
2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine
CID 143997754
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 144168205
N-[[(E)-3-aminopropylideneamino]methyl]-4-methylidenehex-5-en-1-amine
CID 144190308
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 144374242
ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine
CID 144819824

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine?
The IUPAC name of (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine (CID 143997682) is (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine.
What is the SMILES notation for (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine?
The canonical SMILES for (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine is C=CC1=C(/N=C(\C)CCN)NCCC1.
What is the InChIKey of (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine?
The InChIKey is DPMCIYNHLGYPNK-NTEUORMPSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-10-5-4-8-13-11(10)14-9(2)6-7-12/h3,13H,1,4-8,12H2,2H3/b14-9+.
What are the key properties of (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine?
(3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine is sourced from PubChem (CID 143997682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).