2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine

C13H20N2 — CID 121288951

IUPAC2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(N2CC[C@H](C)C2)nc1
InChIInChI=1S/C13H20N2/c1-10(2)12-4-5-13(14-8-12)15-7-6-11(3)9-15/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyDGPFMLFNIVJYNA-NSHDSACASA-N
MW204.32 g/mol
LogP3.05
Rot. Bonds2

About 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine

2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine (PubChem CID 121288951) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
PubChem CID121288951
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(N2CC[C@H](C)C2)nc1
InChIInChI=1S/C13H20N2/c1-10(2)12-4-5-13(14-8-12)15-7-6-11(3)9-15/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyDGPFMLFNIVJYNA-NSHDSACASA-N
XLogP3.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
1-[1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]azetidin-3-ol
CID 163566673
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
2-[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 141263787
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 103942856
5-(5-propan-2-yl-2-pyridinyl)-8-oxa-2,5-diazabicyclo[5.1.0]octane
CID 155198546
5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine
CID 176934902
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 155403124
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102958961

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine?
The IUPAC name of 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine (CID 121288951) is 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine.
What is the SMILES notation for 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine?
The canonical SMILES for 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine is CC(C)c1ccc(N2CC[C@H](C)C2)nc1.
What is the InChIKey of 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine?
The InChIKey is DGPFMLFNIVJYNA-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)12-4-5-13(14-8-12)15-7-6-11(3)9-15/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine?
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine has a molecular weight of 204.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine is sourced from PubChem (CID 121288951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).