6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile

C10H16N2 — CID 12868369

IUPAC6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCCC(C)C1=C(C#N)CCCN1
InChIInChI=1S/C10H16N2/c1-3-8(2)10-9(7-11)5-4-6-12-10/h8,12H,3-6H2,1-2H3
InChIKeyBCAHIEOFRLTRTQ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.19
Rot. Bonds2

About 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile

6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile (PubChem CID 12868369) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile.

Molecular Properties

Compound Name6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
PubChem CID12868369
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCCC(C)C1=C(C#N)CCCN1
InChIInChI=1S/C10H16N2/c1-3-8(2)10-9(7-11)5-4-6-12-10/h8,12H,3-6H2,1-2H3
InChIKeyBCAHIEOFRLTRTQ-UHFFFAOYSA-N
XLogP2.19
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The IUPAC name of 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile (CID 12868369) is 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile.
What is the SMILES notation for 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The canonical SMILES for 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile is CCC(C)C1=C(C#N)CCCN1.
What is the InChIKey of 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The InChIKey is BCAHIEOFRLTRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-8(2)10-9(7-11)5-4-6-12-10/h8,12H,3-6H2,1-2H3.
What are the key properties of 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile is sourced from PubChem (CID 12868369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).