5-methyl-5-nonyl-3,4-dihydro-2H-pyridine

C15H29N — CID 13139995

IUPAC5-methyl-5-nonyl-3,4-dihydro-2H-pyridine
SMILESCCCCCCCCCC1(C)C=NCCC1
InChIInChI=1S/C15H29N/c1-3-4-5-6-7-8-9-11-15(2)12-10-13-16-14-15/h14H,3-13H2,1-2H3
InChIKeyOUPYZMGXEVRCJU-UHFFFAOYSA-N
MW223.40 g/mol
LogP5.00
Rot. Bonds8

About 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine

5-methyl-5-nonyl-3,4-dihydro-2H-pyridine (PubChem CID 13139995) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-5-nonyl-3,4-dihydro-2H-pyridine
PubChem CID13139995
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name5-methyl-5-nonyl-3,4-dihydro-2H-pyridine
SMILESCCCCCCCCCC1(C)C=NCCC1
InChIInChI=1S/C15H29N/c1-3-4-5-6-7-8-9-11-15(2)12-10-13-16-14-15/h14H,3-13H2,1-2H3
InChIKeyOUPYZMGXEVRCJU-UHFFFAOYSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine (CID 13139995) is 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine is CCCCCCCCCC1(C)C=NCCC1.
What is the InChIKey of 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine?
The InChIKey is OUPYZMGXEVRCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-4-5-6-7-8-9-11-15(2)12-10-13-16-14-15/h14H,3-13H2,1-2H3.
What are the key properties of 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine?
5-methyl-5-nonyl-3,4-dihydro-2H-pyridine has a molecular weight of 223.40 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-nonyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 13139995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).