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

C11H18N2 — CID 131144047

IUPAC(2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCCCC[C@@H]1CCC(C#N)=C(C)N1
InChIInChI=1S/C11H18N2/c1-3-4-5-11-7-6-10(8-12)9(2)13-11/h11,13H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyQWDHPFAVEGDDSS-LLVKDONJSA-N
MW178.28 g/mol
LogP2.73
Rot. Bonds3

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

(2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile (PubChem CID 131144047) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile.

Molecular Properties

Compound Name(2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
PubChem CID131144047
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCCCC[C@@H]1CCC(C#N)=C(C)N1
InChIInChI=1S/C11H18N2/c1-3-4-5-11-7-6-10(8-12)9(2)13-11/h11,13H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyQWDHPFAVEGDDSS-LLVKDONJSA-N
XLogP2.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The IUPAC name of (2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile (CID 131144047) is (2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile.
What is the SMILES notation for (2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The canonical SMILES for (2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile is CCCC[C@@H]1CCC(C#N)=C(C)N1.
What is the InChIKey of (2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The InChIKey is QWDHPFAVEGDDSS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-5-11-7-6-10(8-12)9(2)13-11/h11,13H,3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
(2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile is sourced from PubChem (CID 131144047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).