ethane;4-methyl-2-pyrrolidin-3-ylpyridine

C12H20N2 — CID 143900241

IUPACethane;4-methyl-2-pyrrolidin-3-ylpyridine
SMILESCC.Cc1ccnc(C2CCNC2)c1
InChIInChI=1S/C10H14N2.C2H6/c1-8-2-5-12-10(6-8)9-3-4-11-7-9;1-2/h2,5-6,9,11H,3-4,7H2,1H3;1-2H3
InChIKeyBPKXAGALAYOUDX-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.49
Rot. Bonds1

About ethane;4-methyl-2-pyrrolidin-3-ylpyridine

ethane;4-methyl-2-pyrrolidin-3-ylpyridine (PubChem CID 143900241) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;4-methyl-2-pyrrolidin-3-ylpyridine.

Molecular Properties

Compound Nameethane;4-methyl-2-pyrrolidin-3-ylpyridine
PubChem CID143900241
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;4-methyl-2-pyrrolidin-3-ylpyridine
SMILESCC.Cc1ccnc(C2CCNC2)c1
InChIInChI=1S/C10H14N2.C2H6/c1-8-2-5-12-10(6-8)9-3-4-11-7-9;1-2/h2,5-6,9,11H,3-4,7H2,1H3;1-2H3
InChIKeyBPKXAGALAYOUDX-UHFFFAOYSA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine
CID 25124332
2-pyrrolidin-3-ylpyridine-4-carboxylic acid
CID 115018963
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
2-[(3R)-pyrrolidin-3-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 99905930
2-fluoro-4-methyl-6-pyrrolidin-3-ylpyridine
CID 138636032
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
2-fluoro-4-methyl-6-pyrrolidin-3-ylpyridine;hydrochloride
CID 138636031
4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine
CID 95846621
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
2-pyrrolidin-3-ylpyrazine;hydrochloride
CID 71744154
4-bromo-2-piperidin-4-ylpyridine
CID 76848192

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-pyrrolidin-3-ylpyridine?
The IUPAC name of ethane;4-methyl-2-pyrrolidin-3-ylpyridine (CID 143900241) is ethane;4-methyl-2-pyrrolidin-3-ylpyridine.
What is the SMILES notation for ethane;4-methyl-2-pyrrolidin-3-ylpyridine?
The canonical SMILES for ethane;4-methyl-2-pyrrolidin-3-ylpyridine is CC.Cc1ccnc(C2CCNC2)c1.
What is the InChIKey of ethane;4-methyl-2-pyrrolidin-3-ylpyridine?
The InChIKey is BPKXAGALAYOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-8-2-5-12-10(6-8)9-3-4-11-7-9;1-2/h2,5-6,9,11H,3-4,7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2-pyrrolidin-3-ylpyridine?
ethane;4-methyl-2-pyrrolidin-3-ylpyridine has a molecular weight of 192.31 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-pyrrolidin-3-ylpyridine is sourced from PubChem (CID 143900241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).