4-methyl-2-propan-2-ylpyridine

C9H13N — CID 529353

IUPAC4-methyl-2-propan-2-ylpyridine
SMILESCc1ccnc(C(C)C)c1
InChIInChI=1S/C9H13N/c1-7(2)9-6-8(3)4-5-10-9/h4-7H,1-3H3
InChIKeyIQTHCDAGRCAFJT-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.51
Rot. Bonds1

About 4-methyl-2-propan-2-ylpyridine

4-methyl-2-propan-2-ylpyridine (PubChem CID 529353) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylpyridine
PubChem CID529353
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-methyl-2-propan-2-ylpyridine
SMILESCc1ccnc(C(C)C)c1
InChIInChI=1S/C9H13N/c1-7(2)9-6-8(3)4-5-10-9/h4-7H,1-3H3
InChIKeyIQTHCDAGRCAFJT-UHFFFAOYSA-N
XLogP2.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-ylpyridine?
The IUPAC name of 4-methyl-2-propan-2-ylpyridine (CID 529353) is 4-methyl-2-propan-2-ylpyridine.
What is the SMILES notation for 4-methyl-2-propan-2-ylpyridine?
The canonical SMILES for 4-methyl-2-propan-2-ylpyridine is Cc1ccnc(C(C)C)c1.
What is the InChIKey of 4-methyl-2-propan-2-ylpyridine?
The InChIKey is IQTHCDAGRCAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7(2)9-6-8(3)4-5-10-9/h4-7H,1-3H3.
What are the key properties of 4-methyl-2-propan-2-ylpyridine?
4-methyl-2-propan-2-ylpyridine has a molecular weight of 135.21 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylpyridine is sourced from PubChem (CID 529353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).