2-propan-2-ylpentanenitrile

C8H15N — CID 12544860

IUPAC2-propan-2-ylpentanenitrile
SMILESCCCC(C#N)C(C)C
InChIInChI=1S/C8H15N/c1-4-5-8(6-9)7(2)3/h7-8H,4-5H2,1-3H3
InChIKeySEMAIQRIDIHYEZ-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.58
Rot. Bonds3

About 2-propan-2-ylpentanenitrile

2-propan-2-ylpentanenitrile (PubChem CID 12544860) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name2-propan-2-ylpentanenitrile
PubChem CID12544860
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-propan-2-ylpentanenitrile
SMILESCCCC(C#N)C(C)C
InChIInChI=1S/C8H15N/c1-4-5-8(6-9)7(2)3/h7-8H,4-5H2,1-3H3
InChIKeySEMAIQRIDIHYEZ-UHFFFAOYSA-N
XLogP2.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpentanenitrile?
The IUPAC name of 2-propan-2-ylpentanenitrile (CID 12544860) is 2-propan-2-ylpentanenitrile.
What is the SMILES notation for 2-propan-2-ylpentanenitrile?
The canonical SMILES for 2-propan-2-ylpentanenitrile is CCCC(C#N)C(C)C.
What is the InChIKey of 2-propan-2-ylpentanenitrile?
The InChIKey is SEMAIQRIDIHYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-8(6-9)7(2)3/h7-8H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-ylpentanenitrile?
2-propan-2-ylpentanenitrile has a molecular weight of 125.21 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpentanenitrile is sourced from PubChem (CID 12544860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).