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

C7H12N2 — CID 57304929

IUPAC(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine
SMILES[H]/N=C/C1=NCCC(C)C1
InChIInChI=1S/C7H12N2/c1-6-2-3-9-7(4-6)5-8/h5-6,8H,2-4H2,1H3/b8-5+
InChIKeyLMVBXLGVJJEGJX-VMPITWQZSA-N
MW124.19 g/mol
LogP1.51
Rot. Bonds1

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

(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine (PubChem CID 57304929) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine.

Molecular Properties

Compound Name(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine
PubChem CID57304929
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine
SMILES[H]/N=C/C1=NCCC(C)C1
InChIInChI=1S/C7H12N2/c1-6-2-3-9-7(4-6)5-8/h5-6,8H,2-4H2,1H3/b8-5+
InChIKeyLMVBXLGVJJEGJX-VMPITWQZSA-N
XLogP1.51
TPSA36.21 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 ≤ 51.51
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 (4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine?
The IUPAC name of (4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine (CID 57304929) is (4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine.
What is the SMILES notation for (4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine?
The canonical SMILES for (4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine is [H]/N=C/C1=NCCC(C)C1.
What is the InChIKey of (4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine?
The InChIKey is LMVBXLGVJJEGJX-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-2-3-9-7(4-6)5-8/h5-6,8H,2-4H2,1H3/b8-5+.
What are the key properties of (4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine?
(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine has a molecular weight of 124.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3,4,5-tetrahydropyridin-6-yl)methanimine is sourced from PubChem (CID 57304929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).