4-(3,3-dimethylpyrrolidin-1-yl)pyridine

C11H16N2 — CID 67580177

IUPAC4-(3,3-dimethylpyrrolidin-1-yl)pyridine
SMILESCC1(C)CCN(c2ccncc2)C1
InChIInChI=1S/C11H16N2/c1-11(2)5-8-13(9-11)10-3-6-12-7-4-10/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyIEWNTCYGBNSRHE-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.32
Rot. Bonds1

About 4-(3,3-dimethylpyrrolidin-1-yl)pyridine

4-(3,3-dimethylpyrrolidin-1-yl)pyridine (PubChem CID 67580177) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(3,3-dimethylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name4-(3,3-dimethylpyrrolidin-1-yl)pyridine
PubChem CID67580177
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-(3,3-dimethylpyrrolidin-1-yl)pyridine
SMILESCC1(C)CCN(c2ccncc2)C1
InChIInChI=1S/C11H16N2/c1-11(2)5-8-13(9-11)10-3-6-12-7-4-10/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyIEWNTCYGBNSRHE-UHFFFAOYSA-N
XLogP2.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)pyridine?
The IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)pyridine (CID 67580177) is 4-(3,3-dimethylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 4-(3,3-dimethylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 4-(3,3-dimethylpyrrolidin-1-yl)pyridine is CC1(C)CCN(c2ccncc2)C1.
What is the InChIKey of 4-(3,3-dimethylpyrrolidin-1-yl)pyridine?
The InChIKey is IEWNTCYGBNSRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2)5-8-13(9-11)10-3-6-12-7-4-10/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of 4-(3,3-dimethylpyrrolidin-1-yl)pyridine?
4-(3,3-dimethylpyrrolidin-1-yl)pyridine has a molecular weight of 176.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 67580177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).