3-methyl-1-propan-2-yl-2H-pyridine

C9H15N — CID 141124026

IUPAC3-methyl-1-propan-2-yl-2H-pyridine
SMILESCC1=CC=CN(C(C)C)C1
InChIInChI=1S/C9H15N/c1-8(2)10-6-4-5-9(3)7-10/h4-6,8H,7H2,1-3H3
InChIKeyLWDXGSMEGAYOEW-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds1

About 3-methyl-1-propan-2-yl-2H-pyridine

3-methyl-1-propan-2-yl-2H-pyridine (PubChem CID 141124026) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-2H-pyridine
PubChem CID141124026
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-methyl-1-propan-2-yl-2H-pyridine
SMILESCC1=CC=CN(C(C)C)C1
InChIInChI=1S/C9H15N/c1-8(2)10-6-4-5-9(3)7-10/h4-6,8H,7H2,1-3H3
InChIKeyLWDXGSMEGAYOEW-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-2H-pyridine?
The IUPAC name of 3-methyl-1-propan-2-yl-2H-pyridine (CID 141124026) is 3-methyl-1-propan-2-yl-2H-pyridine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-2H-pyridine?
The canonical SMILES for 3-methyl-1-propan-2-yl-2H-pyridine is CC1=CC=CN(C(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-yl-2H-pyridine?
The InChIKey is LWDXGSMEGAYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8(2)10-6-4-5-9(3)7-10/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-2H-pyridine?
3-methyl-1-propan-2-yl-2H-pyridine has a molecular weight of 137.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-2H-pyridine is sourced from PubChem (CID 141124026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).