2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine

C11H18N2 — CID 146657807

IUPAC2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine
SMILESCC1(C)CC(N2CCCC2)=CC=N1
InChIInChI=1S/C11H18N2/c1-11(2)9-10(5-6-12-11)13-7-3-4-8-13/h5-6H,3-4,7-9H2,1-2H3
InChIKeyWPVIRAPUNPEWRZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.22
Rot. Bonds1

About 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine

2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine (PubChem CID 146657807) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine.

Molecular Properties

Compound Name2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine
PubChem CID146657807
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine
SMILESCC1(C)CC(N2CCCC2)=CC=N1
InChIInChI=1S/C11H18N2/c1-11(2)9-10(5-6-12-11)13-7-3-4-8-13/h5-6H,3-4,7-9H2,1-2H3
InChIKeyWPVIRAPUNPEWRZ-UHFFFAOYSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine?
The IUPAC name of 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine (CID 146657807) is 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine.
What is the SMILES notation for 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine?
The canonical SMILES for 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine is CC1(C)CC(N2CCCC2)=CC=N1.
What is the InChIKey of 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine?
The InChIKey is WPVIRAPUNPEWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2)9-10(5-6-12-11)13-7-3-4-8-13/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine?
2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine has a molecular weight of 178.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine is sourced from PubChem (CID 146657807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).