3-(2,2-dimethylpropyl)pyridine

C10H15N — CID 13287120

IUPAC3-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1cccnc1
InChIInChI=1S/C10H15N/c1-10(2,3)7-9-5-4-6-11-8-9/h4-6,8H,7H2,1-3H3
InChIKeyRQHPEPIGRLVQKS-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.67
Rot. Bonds1

About 3-(2,2-dimethylpropyl)pyridine

3-(2,2-dimethylpropyl)pyridine (PubChem CID 13287120) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)pyridine
PubChem CID13287120
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1cccnc1
InChIInChI=1S/C10H15N/c1-10(2,3)7-9-5-4-6-11-8-9/h4-6,8H,7H2,1-3H3
InChIKeyRQHPEPIGRLVQKS-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)pyridine?
The IUPAC name of 3-(2,2-dimethylpropyl)pyridine (CID 13287120) is 3-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for 3-(2,2-dimethylpropyl)pyridine is CC(C)(C)Cc1cccnc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)pyridine?
The InChIKey is RQHPEPIGRLVQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-10(2,3)7-9-5-4-6-11-8-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)pyridine?
3-(2,2-dimethylpropyl)pyridine has a molecular weight of 149.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 13287120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).