2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine

C15H22N2 — CID 166496656

IUPAC2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine
SMILESCC(C)(C)/C=C/c1ccc(N2CCCC2)cn1
InChIInChI=1S/C15H22N2/c1-15(2,3)9-8-13-6-7-14(12-16-13)17-10-4-5-11-17/h6-9,12H,4-5,10-11H2,1-3H3/b9-8+
InChIKeyUZFHVJOJSHWCFL-CMDGGOBGSA-N
MW230.35 g/mol
LogP3.74
Rot. Bonds2

About 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine

2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine (PubChem CID 166496656) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine
PubChem CID166496656
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine
SMILESCC(C)(C)/C=C/c1ccc(N2CCCC2)cn1
InChIInChI=1S/C15H22N2/c1-15(2,3)9-8-13-6-7-14(12-16-13)17-10-4-5-11-17/h6-9,12H,4-5,10-11H2,1-3H3/b9-8+
InChIKeyUZFHVJOJSHWCFL-CMDGGOBGSA-N
XLogP3.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine
CID 155772719
2-chloro-5-pyrrolidin-1-ylpyridine
CID 82225005
2,5-di(piperidin-1-yl)pyridine
CID 56695292
1-(6-propan-2-yl-3-pyridinyl)azepane
CID 156651925
5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
CID 75537462
ethane;2-ethyl-5-piperidin-1-ylpyridine
CID 144862663
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
N-propan-2-yl-5-pyrrolidin-1-ylpyridin-2-amine
CID 115917830
potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride
CID 159763810
(3R)-5-ethyl-7a-hydroxy-3,6-dimethyl-4-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
CID 10293426
2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine
CID 165372455
[1-(6-ethenyl-3-pyridinyl)-4-methylpiperidin-4-yl]methanol
CID 165400233

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine (CID 166496656) is 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine is CC(C)(C)/C=C/c1ccc(N2CCCC2)cn1.
What is the InChIKey of 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine?
The InChIKey is UZFHVJOJSHWCFL-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(2,3)9-8-13-6-7-14(12-16-13)17-10-4-5-11-17/h6-9,12H,4-5,10-11H2,1-3H3/b9-8+.
What are the key properties of 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine?
2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine has a molecular weight of 230.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 166496656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).