5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine

C9H15N — CID 123406515

IUPAC5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=C(C2CC2)CNC1
InChIInChI=1S/C9H15N/c1-7-4-9(6-10-5-7)8-2-3-8/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyKWQFSZMAPVHCGR-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.56
Rot. Bonds1

About 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine

5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 123406515) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine
PubChem CID123406515
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=C(C2CC2)CNC1
InChIInChI=1S/C9H15N/c1-7-4-9(6-10-5-7)8-2-3-8/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyKWQFSZMAPVHCGR-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
(2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine
CID 1787860
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
Pyridine, 1,2,5,6-tetrahydro-5-isopropyl-
CID 23423760
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
3-Fluoro-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 172345431
3-[2-(2,2-Difluorocyclopropyl)ethylidene]-5-methylpiperidine
CID 164649179
3-[(2,2-Difluorocyclopropyl)methylidene]-5-methylpiperidine
CID 164649195
4-(3-Methylbutylidene)piperidine;hydrochloride
CID 21990001
4-(3-Methylbutylidene)piperidine
CID 21990002
N-butyl-3,7-dimethylocta-2,6-dien-1-amine
CID 53958916

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine (CID 123406515) is 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine is CC1C=C(C2CC2)CNC1.
What is the InChIKey of 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is KWQFSZMAPVHCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-4-9(6-10-5-7)8-2-3-8/h4,7-8,10H,2-3,5-6H2,1H3.
What are the key properties of 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine?
5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 137.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123406515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).