3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine

C11H20N2 — CID 142358572

IUPAC3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CCNC1
InChIInChI=1S/C11H20N2/c1-8(2)10(4)13-11-5-6-12-7-9(11)3/h8,12H,5-7H2,1-4H3/b13-10+
InChIKeyOAIHJWOJFXYUHG-JLHYYAGUSA-N
MW180.29 g/mol
LogP2.37
Rot. Bonds2

About 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine

3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine (PubChem CID 142358572) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
PubChem CID142358572
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CCNC1
InChIInChI=1S/C11H20N2/c1-8(2)10(4)13-11-5-6-12-7-9(11)3/h8,12H,5-7H2,1-4H3/b13-10+
InChIKeyOAIHJWOJFXYUHG-JLHYYAGUSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine?
The IUPAC name of 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine (CID 142358572) is 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine.
What is the SMILES notation for 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine?
The canonical SMILES for 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine is CC1=C(/N=C(\C)C(C)C)CCNC1.
What is the InChIKey of 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine?
The InChIKey is OAIHJWOJFXYUHG-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)10(4)13-11-5-6-12-7-9(11)3/h8,12H,5-7H2,1-4H3/b13-10+.
What are the key properties of 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine?
3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine has a molecular weight of 180.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine is sourced from PubChem (CID 142358572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).