(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine

C9H16N2 — CID 89009886

IUPAC(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine
SMILES[H]/N=C/C1=C(C)C(C)(C)CNC1
InChIInChI=1S/C9H16N2/c1-7-8(4-10)5-11-6-9(7,2)3/h4,10-11H,5-6H2,1-3H3/b10-4+
InChIKeyPVXCUHKKMPVZJM-ONNFQVAWSA-N
MW152.24 g/mol
LogP1.58
Rot. Bonds1

About (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine

(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine (PubChem CID 89009886) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine.

Molecular Properties

Compound Name(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine
PubChem CID89009886
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine
SMILES[H]/N=C/C1=C(C)C(C)(C)CNC1
InChIInChI=1S/C9H16N2/c1-7-8(4-10)5-11-6-9(7,2)3/h4,10-11H,5-6H2,1-3H3/b10-4+
InChIKeyPVXCUHKKMPVZJM-ONNFQVAWSA-N
XLogP1.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine?
The IUPAC name of (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine (CID 89009886) is (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine.
What is the SMILES notation for (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine?
The canonical SMILES for (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine is [H]/N=C/C1=C(C)C(C)(C)CNC1.
What is the InChIKey of (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine?
The InChIKey is PVXCUHKKMPVZJM-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-8(4-10)5-11-6-9(7,2)3/h4,10-11H,5-6H2,1-3H3/b10-4+.
What are the key properties of (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine?
(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine has a molecular weight of 152.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine is sourced from PubChem (CID 89009886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).