2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine

C15H23N — CID 139315844

IUPAC2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(C(C)(C)C)c(C2CC2)c1
InChIInChI=1S/C15H23N/c1-10(2)12-8-13(11-6-7-11)14(16-9-12)15(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyQPQZEGAQKCLNFR-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.38
Rot. Bonds2

About 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine

2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine (PubChem CID 139315844) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine
PubChem CID139315844
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(C(C)(C)C)c(C2CC2)c1
InChIInChI=1S/C15H23N/c1-10(2)12-8-13(11-6-7-11)14(16-9-12)15(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyQPQZEGAQKCLNFR-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine?
The IUPAC name of 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine (CID 139315844) is 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine.
What is the SMILES notation for 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine?
The canonical SMILES for 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine is CC(C)c1cnc(C(C)(C)C)c(C2CC2)c1.
What is the InChIKey of 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine?
The InChIKey is QPQZEGAQKCLNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10(2)12-8-13(11-6-7-11)14(16-9-12)15(3,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine?
2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine has a molecular weight of 217.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine is sourced from PubChem (CID 139315844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).