(2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile

C17H30N2 — CID 135015412

IUPAC(2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCCCCCCCCCC[C@@H]1CCC(C#N)=C(C)N1
InChIInChI=1S/C17H30N2/c1-3-4-5-6-7-8-9-10-11-17-13-12-16(14-18)15(2)19-17/h17,19H,3-13H2,1-2H3/t17-/m1/s1
InChIKeyBQRUKNOZLNPQPU-QGZVFWFLSA-N
MW262.44 g/mol
LogP5.07
Rot. Bonds9

About (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile

(2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile (PubChem CID 135015412) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile.

Molecular Properties

Compound Name(2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
PubChem CID135015412
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCCCCCCCCCC[C@@H]1CCC(C#N)=C(C)N1
InChIInChI=1S/C17H30N2/c1-3-4-5-6-7-8-9-10-11-17-13-12-16(14-18)15(2)19-17/h17,19H,3-13H2,1-2H3/t17-/m1/s1
InChIKeyBQRUKNOZLNPQPU-QGZVFWFLSA-N
XLogP5.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
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 (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The IUPAC name of (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile (CID 135015412) is (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile.
What is the SMILES notation for (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The canonical SMILES for (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile is CCCCCCCCCC[C@@H]1CCC(C#N)=C(C)N1.
What is the InChIKey of (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The InChIKey is BQRUKNOZLNPQPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-4-5-6-7-8-9-10-11-17-13-12-16(14-18)15(2)19-17/h17,19H,3-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
(2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile has a molecular weight of 262.44 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-decyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile is sourced from PubChem (CID 135015412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).