3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine

C12H22N2 — CID 135135422

IUPAC3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=CCNC(CC2CCNC2)C1C
InChIInChI=1S/C12H22N2/c1-9-3-6-14-12(10(9)2)7-11-4-5-13-8-11/h3,10-14H,4-8H2,1-2H3
InChIKeyPYDNRWQOKYVUNZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.54
Rot. Bonds2

About 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine

3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 135135422) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine
PubChem CID135135422
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=CCNC(CC2CCNC2)C1C
InChIInChI=1S/C12H22N2/c1-9-3-6-14-12(10(9)2)7-11-4-5-13-8-11/h3,10-14H,4-8H2,1-2H3
InChIKeyPYDNRWQOKYVUNZ-UHFFFAOYSA-N
XLogP1.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine (CID 135135422) is 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine is CC1=CCNC(CC2CCNC2)C1C.
What is the InChIKey of 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is PYDNRWQOKYVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9-3-6-14-12(10(9)2)7-11-4-5-13-8-11/h3,10-14H,4-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine?
3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 194.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 135135422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).