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

C7H12N2 — CID 142384572

IUPAC(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
SMILES[H]/N=C/C1=C(C)CNCC1
InChIInChI=1S/C7H12N2/c1-6-5-9-3-2-7(6)4-8/h4,8-9H,2-3,5H2,1H3/b8-4+
InChIKeyNZAILQCPSRFWDO-XBXARRHUSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds1

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

(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine (PubChem CID 142384572) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine.

Molecular Properties

Compound Name(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
PubChem CID142384572
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
SMILES[H]/N=C/C1=C(C)CNCC1
InChIInChI=1S/C7H12N2/c1-6-5-9-3-2-7(6)4-8/h4,8-9H,2-3,5H2,1H3/b8-4+
InChIKeyNZAILQCPSRFWDO-XBXARRHUSA-N
XLogP0.95
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dimethyl-2,3-dihydropyridin-1-ium
CID 134851930
N-methyl-4-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 68179646
(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine
CID 89009886
5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
CID 89122717
N-methyl-2-(2H-pyrrol-4-yl)ethanamine
CID 90161354
(4-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 91200283
2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium
CID 123319751
(5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 123963812
1-(2,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-N-methylmethanimine
CID 130182248
1,2,3,4,7,8-Hexahydro-2,6-naphthyridine
CID 135180853
2-(2,3-dihydropyridin-5-yl)-N-methylethanamine
CID 142207405
ethane;N-ethyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142338403

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The IUPAC name of (5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine (CID 142384572) is (5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine.
What is the SMILES notation for (5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The canonical SMILES for (5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine is [H]/N=C/C1=C(C)CNCC1.
What is the InChIKey of (5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The InChIKey is NZAILQCPSRFWDO-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-5-9-3-2-7(6)4-8/h4,8-9H,2-3,5H2,1H3/b8-4+.
What are the key properties of (5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine?
(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine is sourced from PubChem (CID 142384572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).