2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine

C16H24N2 — CID 139918689

IUPAC2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine
SMILESCC1(CCCCC2(C)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C16H24N2/c1-15(11-5-7-13-17-15)9-3-4-10-16(2)12-6-8-14-18-16/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3
InChIKeySCVTYZYDCDQHOF-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.41
Rot. Bonds5

About 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine

2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine (PubChem CID 139918689) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine
PubChem CID139918689
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine
SMILESCC1(CCCCC2(C)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C16H24N2/c1-15(11-5-7-13-17-15)9-3-4-10-16(2)12-6-8-14-18-16/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3
InChIKeySCVTYZYDCDQHOF-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine?
The IUPAC name of 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine (CID 139918689) is 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine.
What is the SMILES notation for 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine?
The canonical SMILES for 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine is CC1(CCCCC2(C)C=CC=CN2)C=CC=CN1.
What is the InChIKey of 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine?
The InChIKey is SCVTYZYDCDQHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(11-5-7-13-17-15)9-3-4-10-16(2)12-6-8-14-18-16/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine?
2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine has a molecular weight of 244.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methyl-1H-pyridin-2-yl)butyl]-1H-pyridine is sourced from PubChem (CID 139918689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).