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

C14H27N3 — CID 143997689

IUPACethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine
SMILESC=CC1=C(/N=C(\C)CCCN)NCCC1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-3-11-7-5-9-14-12(11)15-10(2)6-4-8-13;1-2/h3,14H,1,4-9,13H2,2H3;1-2H3/b15-10+;
InChIKeyNEGBJRLBZMSHSV-GYVLLFFHSA-N
MW237.39 g/mol
LogP2.99
Rot. Bonds5

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

ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine (PubChem CID 143997689) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine.

Molecular Properties

Compound Nameethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine
PubChem CID143997689
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine
SMILESC=CC1=C(/N=C(\C)CCCN)NCCC1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-3-11-7-5-9-14-12(11)15-10(2)6-4-8-13;1-2/h3,14H,1,4-9,13H2,2H3;1-2H3/b15-10+;
InChIKeyNEGBJRLBZMSHSV-GYVLLFFHSA-N
XLogP2.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.99
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
(3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine
CID 143997682
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 ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine?
The IUPAC name of ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine (CID 143997689) is ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine.
What is the SMILES notation for ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine?
The canonical SMILES for ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine is C=CC1=C(/N=C(\C)CCCN)NCCC1.CC.
What is the InChIKey of ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine?
The InChIKey is NEGBJRLBZMSHSV-GYVLLFFHSA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-3-11-7-5-9-14-12(11)15-10(2)6-4-8-13;1-2/h3,14H,1,4-9,13H2,2H3;1-2H3/b15-10+;.
What are the key properties of ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine?
ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine is sourced from PubChem (CID 143997689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).