1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine

C8H14N2 — CID 123958867

IUPAC1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
SMILES[H]/N=C(\C)C1=C(C)CNCC1
InChIInChI=1S/C8H14N2/c1-6-5-10-4-3-8(6)7(2)9/h9-10H,3-5H2,1-2H3/b9-7+
InChIKeyYRRIDUJXEFMEOY-VQHVLOKHSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds1

About 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine

1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine (PubChem CID 123958867) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine.

Molecular Properties

Compound Name1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
PubChem CID123958867
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
SMILES[H]/N=C(\C)C1=C(C)CNCC1
InChIInChI=1S/C8H14N2/c1-6-5-10-4-3-8(6)7(2)9/h9-10H,3-5H2,1-2H3/b9-7+
InChIKeyYRRIDUJXEFMEOY-VQHVLOKHSA-N
XLogP1.34
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 14326941
N-methoxy-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 72729999
(1Z)-1-(4-iminopiperidin-3-ylidene)ethanamine
CID 88278220
4-(C,N-dimethylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 89510160
2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine
CID 90161353
(4Z)-4-propylidenepiperidin-3-imine
CID 123275226
(4Z)-4-ethylidene-N-methylpiperidin-3-imine
CID 123514205
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 131966479
N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propylidene]hydroxylamine
CID 140366271
Ethane;3-piperidin-4-ylidenebutan-2-imine
CID 142142788
ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384557
1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384558

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
The IUPAC name of 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine (CID 123958867) is 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine.
What is the SMILES notation for 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
The canonical SMILES for 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine is [H]/N=C(\C)C1=C(C)CNCC1.
What is the InChIKey of 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
The InChIKey is YRRIDUJXEFMEOY-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-5-10-4-3-8(6)7(2)9/h9-10H,3-5H2,1-2H3/b9-7+.
What are the key properties of 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine is sourced from PubChem (CID 123958867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).