2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine

C16H26N2 — CID 166501051

IUPAC2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine
SMILESCC(C)C1CN(C(C)C)CC1Cc1ccccn1
InChIInChI=1S/C16H26N2/c1-12(2)16-11-18(13(3)4)10-14(16)9-15-7-5-6-8-17-15/h5-8,12-14,16H,9-11H2,1-4H3
InChIKeyCLIRUNBUQPIZEY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.24
Rot. Bonds4

About 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine

2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine (PubChem CID 166501051) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine
PubChem CID166501051
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine
SMILESCC(C)C1CN(C(C)C)CC1Cc1ccccn1
InChIInChI=1S/C16H26N2/c1-12(2)16-11-18(13(3)4)10-14(16)9-15-7-5-6-8-17-15/h5-8,12-14,16H,9-11H2,1-4H3
InChIKeyCLIRUNBUQPIZEY-UHFFFAOYSA-N
XLogP3.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
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cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
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2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine
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1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
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8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
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CID 90965469

Frequently Asked Questions

What is the IUPAC name of 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine (CID 166501051) is 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine is CC(C)C1CN(C(C)C)CC1Cc1ccccn1.
What is the InChIKey of 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is CLIRUNBUQPIZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)16-11-18(13(3)4)10-14(16)9-15-7-5-6-8-17-15/h5-8,12-14,16H,9-11H2,1-4H3.
What are the key properties of 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine?
2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 246.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 166501051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).