4-(1-tert-butylcyclopropyl)pyridine

C12H17N — CID 59574595

IUPAC4-(1-tert-butylcyclopropyl)pyridine
SMILESCC(C)(C)C1(c2ccncc2)CC1
InChIInChI=1S/C12H17N/c1-11(2,3)12(6-7-12)10-4-8-13-9-5-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyPHPOLRYCMDFOCD-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.16
Rot. Bonds1

About 4-(1-tert-butylcyclopropyl)pyridine

4-(1-tert-butylcyclopropyl)pyridine (PubChem CID 59574595) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-(1-tert-butylcyclopropyl)pyridine.

Molecular Properties

Compound Name4-(1-tert-butylcyclopropyl)pyridine
PubChem CID59574595
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name4-(1-tert-butylcyclopropyl)pyridine
SMILESCC(C)(C)C1(c2ccncc2)CC1
InChIInChI=1S/C12H17N/c1-11(2,3)12(6-7-12)10-4-8-13-9-5-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyPHPOLRYCMDFOCD-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylcyclopropyl)pyridine?
The IUPAC name of 4-(1-tert-butylcyclopropyl)pyridine (CID 59574595) is 4-(1-tert-butylcyclopropyl)pyridine.
What is the SMILES notation for 4-(1-tert-butylcyclopropyl)pyridine?
The canonical SMILES for 4-(1-tert-butylcyclopropyl)pyridine is CC(C)(C)C1(c2ccncc2)CC1.
What is the InChIKey of 4-(1-tert-butylcyclopropyl)pyridine?
The InChIKey is PHPOLRYCMDFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-11(2,3)12(6-7-12)10-4-8-13-9-5-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 4-(1-tert-butylcyclopropyl)pyridine?
4-(1-tert-butylcyclopropyl)pyridine has a molecular weight of 175.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylcyclopropyl)pyridine is sourced from PubChem (CID 59574595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).