2-amino-2-butylhexanenitrile

C10H20N2 — CID 24813765

IUPAC2-amino-2-butylhexanenitrile
SMILESCCCCC(N)(C#N)CCCC
InChIInChI=1S/C10H20N2/c1-3-5-7-10(12,9-11)8-6-4-2/h3-8,12H2,1-2H3
InChIKeyGLSXRPJLJVYLQX-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-2-butylhexanenitrile

2-amino-2-butylhexanenitrile (PubChem CID 24813765) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-amino-2-butylhexanenitrile.

Molecular Properties

Compound Name2-amino-2-butylhexanenitrile
PubChem CID24813765
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-amino-2-butylhexanenitrile
SMILESCCCCC(N)(C#N)CCCC
InChIInChI=1S/C10H20N2/c1-3-5-7-10(12,9-11)8-6-4-2/h3-8,12H2,1-2H3
InChIKeyGLSXRPJLJVYLQX-UHFFFAOYSA-N
XLogP2.59
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-butylhexanenitrile?
The IUPAC name of 2-amino-2-butylhexanenitrile (CID 24813765) is 2-amino-2-butylhexanenitrile.
What is the SMILES notation for 2-amino-2-butylhexanenitrile?
The canonical SMILES for 2-amino-2-butylhexanenitrile is CCCCC(N)(C#N)CCCC.
What is the InChIKey of 2-amino-2-butylhexanenitrile?
The InChIKey is GLSXRPJLJVYLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-5-7-10(12,9-11)8-6-4-2/h3-8,12H2,1-2H3.
What are the key properties of 2-amino-2-butylhexanenitrile?
2-amino-2-butylhexanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-butylhexanenitrile is sourced from PubChem (CID 24813765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).