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

C12H20N2 — CID 16737421

IUPAC(2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCCCCC[C@@H]1CCC(C#N)=C(C)N1
InChIInChI=1S/C12H20N2/c1-3-4-5-6-12-8-7-11(9-13)10(2)14-12/h12,14H,3-8H2,1-2H3/t12-/m1/s1
InChIKeyOJUCGQJKLMEQLN-GFCCVEGCSA-N
MW192.31 g/mol
LogP3.12
Rot. Bonds4

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

(2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile (PubChem CID 16737421) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile.

Molecular Properties

Compound Name(2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
PubChem CID16737421
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCCCCC[C@@H]1CCC(C#N)=C(C)N1
InChIInChI=1S/C12H20N2/c1-3-4-5-6-12-8-7-11(9-13)10(2)14-12/h12,14H,3-8H2,1-2H3/t12-/m1/s1
InChIKeyOJUCGQJKLMEQLN-GFCCVEGCSA-N
XLogP3.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The IUPAC name of (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile (CID 16737421) is (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile.
What is the SMILES notation for (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The canonical SMILES for (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile is CCCCC[C@@H]1CCC(C#N)=C(C)N1.
What is the InChIKey of (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The InChIKey is OJUCGQJKLMEQLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-4-5-6-12-8-7-11(9-13)10(2)14-12/h12,14H,3-8H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
(2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methyl-2-pentyl-1,2,3,4-tetrahydropyridine-5-carbonitrile is sourced from PubChem (CID 16737421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).