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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Related Compounds

2,2-Dimethyl-4-piperidino-2,3-dihydropyridin
CID 137530180
N-(1,2,2-trimethyl-1,2,3,4-tetrahydropyridin-4-ylidene)pyrrolidin-1-ium iodide
CID 146657854
1-Vinyltetrahydropyrrolo[3,2-c]pyridine
CID 129785717
N-methyltetrahydropyrrolo[3,2-c]pyridine
CID 129871311
N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine
CID 91365768
2-Methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole
CID 91471365
2-methyl-6-pyrrolidin-1-yl-4H-azepine
CID 134406049
N,N,2,2-tetramethyl-3H-pyridin-4-amine
CID 172693783
1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium
CID 146657855
1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium
CID 156630786

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).