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

C10H20N2 — CID 178148756

IUPACethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
SMILESCC.[H]/N=C(\C)C1=C(C)CNCC1
InChIInChI=1S/C8H14N2.C2H6/c1-6-5-10-4-3-8(6)7(2)9;1-2/h9-10H,3-5H2,1-2H3;1-2H3/b9-7+;
InChIKeyHTJXFXDVILRVSG-BXTVWIJMSA-N
MW168.28 g/mol
LogP2.36
Rot. Bonds1

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

ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine (PubChem CID 178148756) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine.

Molecular Properties

Compound Nameethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
PubChem CID178148756
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
SMILESCC.[H]/N=C(\C)C1=C(C)CNCC1
InChIInChI=1S/C8H14N2.C2H6/c1-6-5-10-4-3-8(6)7(2)9;1-2/h9-10H,3-5H2,1-2H3;1-2H3/b9-7+;
InChIKeyHTJXFXDVILRVSG-BXTVWIJMSA-N
XLogP2.36
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
The IUPAC name of ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine (CID 178148756) is ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine.
What is the SMILES notation for ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
The canonical SMILES for ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine is CC.[H]/N=C(\C)C1=C(C)CNCC1.
What is the InChIKey of ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
The InChIKey is HTJXFXDVILRVSG-BXTVWIJMSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-6-5-10-4-3-8(6)7(2)9;1-2/h9-10H,3-5H2,1-2H3;1-2H3/b9-7+;.
What are the key properties of ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine?
ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine has a molecular weight of 168.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine is sourced from PubChem (CID 178148756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).