N,1,5-trimethyl-2,4-dihydropyridin-3-imine

C8H14N2 — CID 56637640

IUPACN,1,5-trimethyl-2,4-dihydropyridin-3-imine
SMILESC/N=C1\CC(C)=CN(C)C1
InChIInChI=1S/C8H14N2/c1-7-4-8(9-2)6-10(3)5-7/h5H,4,6H2,1-3H3/b9-8+
InChIKeyHWSOKMLAAHDMCT-CMDGGOBGSA-N
MW138.21 g/mol
LogP1.30
Rot. Bonds

About N,1,5-trimethyl-2,4-dihydropyridin-3-imine

N,1,5-trimethyl-2,4-dihydropyridin-3-imine (PubChem CID 56637640) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N,1,5-trimethyl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound NameN,1,5-trimethyl-2,4-dihydropyridin-3-imine
PubChem CID56637640
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN,1,5-trimethyl-2,4-dihydropyridin-3-imine
SMILESC/N=C1\CC(C)=CN(C)C1
InChIInChI=1S/C8H14N2/c1-7-4-8(9-2)6-10(3)5-7/h5H,4,6H2,1-3H3/b9-8+
InChIKeyHWSOKMLAAHDMCT-CMDGGOBGSA-N
XLogP1.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
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,1,5-trimethyl-2,4-dihydropyridin-3-imine?
The IUPAC name of N,1,5-trimethyl-2,4-dihydropyridin-3-imine (CID 56637640) is N,1,5-trimethyl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for N,1,5-trimethyl-2,4-dihydropyridin-3-imine?
The canonical SMILES for N,1,5-trimethyl-2,4-dihydropyridin-3-imine is C/N=C1\CC(C)=CN(C)C1.
What is the InChIKey of N,1,5-trimethyl-2,4-dihydropyridin-3-imine?
The InChIKey is HWSOKMLAAHDMCT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-4-8(9-2)6-10(3)5-7/h5H,4,6H2,1-3H3/b9-8+.
What are the key properties of N,1,5-trimethyl-2,4-dihydropyridin-3-imine?
N,1,5-trimethyl-2,4-dihydropyridin-3-imine has a molecular weight of 138.21 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 56637640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).