4-cyclopropyl-5-methyl-2-propan-2-ylpyridine

C12H17N — CID 165379120

IUPAC4-cyclopropyl-5-methyl-2-propan-2-ylpyridine
SMILESCc1cnc(C(C)C)cc1C1CC1
InChIInChI=1S/C12H17N/c1-8(2)12-6-11(10-4-5-10)9(3)7-13-12/h6-8,10H,4-5H2,1-3H3
InChIKeyLCITZPGHZIWWKG-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.39
Rot. Bonds2

About 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine

4-cyclopropyl-5-methyl-2-propan-2-ylpyridine (PubChem CID 165379120) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-2-propan-2-ylpyridine
PubChem CID165379120
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-cyclopropyl-5-methyl-2-propan-2-ylpyridine
SMILESCc1cnc(C(C)C)cc1C1CC1
InChIInChI=1S/C12H17N/c1-8(2)12-6-11(10-4-5-10)9(3)7-13-12/h6-8,10H,4-5H2,1-3H3
InChIKeyLCITZPGHZIWWKG-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine?
The IUPAC name of 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine (CID 165379120) is 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine.
What is the SMILES notation for 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine?
The canonical SMILES for 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine is Cc1cnc(C(C)C)cc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine?
The InChIKey is LCITZPGHZIWWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8(2)12-6-11(10-4-5-10)9(3)7-13-12/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine?
4-cyclopropyl-5-methyl-2-propan-2-ylpyridine has a molecular weight of 175.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-2-propan-2-ylpyridine is sourced from PubChem (CID 165379120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).