N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine

C10H16N2 — CID 166901468

IUPACN-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)CC(C)NC1
InChIInChI=1S/C10H16N2/c1-4-5-11-10-7-12-9(3)6-8(10)2/h4-5,9,12H,1,6-7H2,2-3H3/b11-5+
InChIKeyUTNGSLRZOUZKDE-VZUCSPMQSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds2

About N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine

N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine (PubChem CID 166901468) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine
PubChem CID166901468
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)CC(C)NC1
InChIInChI=1S/C10H16N2/c1-4-5-11-10-7-12-9(3)6-8(10)2/h4-5,9,12H,1,6-7H2,2-3H3/b11-5+
InChIKeyUTNGSLRZOUZKDE-VZUCSPMQSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
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 N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine?
The IUPAC name of N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine (CID 166901468) is N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine?
The canonical SMILES for N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine is C=C/C=N/C1=C(C)CC(C)NC1.
What is the InChIKey of N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine?
The InChIKey is UTNGSLRZOUZKDE-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-5-11-10-7-12-9(3)6-8(10)2/h4-5,9,12H,1,6-7H2,2-3H3/b11-5+.
What are the key properties of N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine?
N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine is sourced from PubChem (CID 166901468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).