4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine

C15H29N — CID 143716521

IUPAC4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCCCCCCCC(C)C1=C(C)CCNC1
InChIInChI=1S/C15H29N/c1-4-5-6-7-8-9-13(2)15-12-16-11-10-14(15)3/h13,16H,4-12H2,1-3H3
InChIKeyGEBYELBUVACRIX-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.29
Rot. Bonds7

About 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine

4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 143716521) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID143716521
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCCCCCCCC(C)C1=C(C)CCNC1
InChIInChI=1S/C15H29N/c1-4-5-6-7-8-9-13(2)15-12-16-11-10-14(15)3/h13,16H,4-12H2,1-3H3
InChIKeyGEBYELBUVACRIX-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 170445372
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
10,16-dimethyldotriacontane
CID 91748795
11,12-dimethyltricosane
CID 173430605
6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
15-methylhexatriacontane
CID 86002594
6-methylheptacosane
CID 22223776
15-methyldotriacontane
CID 54168480

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine (CID 143716521) is 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine is CCCCCCCC(C)C1=C(C)CCNC1.
What is the InChIKey of 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is GEBYELBUVACRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-5-6-7-8-9-13(2)15-12-16-11-10-14(15)3/h13,16H,4-12H2,1-3H3.
What are the key properties of 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine?
4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 223.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nonan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 143716521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).