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

C7H12N2 — CID 177029419

IUPACN-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
SMILESC=NC1=C(C)CCCN1
InChIInChI=1S/C7H12N2/c1-6-4-3-5-9-7(6)8-2/h9H,2-5H2,1H3
InChIKeyNTXQTLGOAPHORW-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds1

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

N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine (PubChem CID 177029419) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine.

Molecular Properties

Compound NameN-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
PubChem CID177029419
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
SMILESC=NC1=C(C)CCCN1
InChIInChI=1S/C7H12N2/c1-6-4-3-5-9-7(6)8-2/h9H,2-5H2,1H3
InChIKeyNTXQTLGOAPHORW-UHFFFAOYSA-N
XLogP1.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1,2,3,4-tetrahydropyridin-6-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

Related Compounds

5-Methyl-1,2,3,4-tetrahydropyridin-6-amine
CID 21721294
N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 134277273
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen
CID 142348379
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 144168205
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 144374242
N,5-dimethyl-1,2,3,4-tetrahydropyridin-6-amine
CID 147619545
N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen;propane
CID 177029418

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine?
The IUPAC name of N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine (CID 177029419) is N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine.
What is the SMILES notation for N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine?
The canonical SMILES for N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine is C=NC1=C(C)CCCN1.
What is the InChIKey of N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine?
The InChIKey is NTXQTLGOAPHORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-4-3-5-9-7(6)8-2/h9H,2-5H2,1H3.
What are the key properties of N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine?
N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine has a molecular weight of 124.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine is sourced from PubChem (CID 177029419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).