3-amino-6-hydroxy-2,2-dimethylhexanenitrile

C8H16N2O — CID 138487485

IUPAC3-amino-6-hydroxy-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)C(N)CCCO
InChIInChI=1S/C8H16N2O/c1-8(2,6-9)7(10)4-3-5-11/h7,11H,3-5,10H2,1-2H3
InChIKeyYXXGWKFUZZSFIK-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.64
Rot. Bonds4

About 3-amino-6-hydroxy-2,2-dimethylhexanenitrile

3-amino-6-hydroxy-2,2-dimethylhexanenitrile (PubChem CID 138487485) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-amino-6-hydroxy-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name3-amino-6-hydroxy-2,2-dimethylhexanenitrile
PubChem CID138487485
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-amino-6-hydroxy-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)C(N)CCCO
InChIInChI=1S/C8H16N2O/c1-8(2,6-9)7(10)4-3-5-11/h7,11H,3-5,10H2,1-2H3
InChIKeyYXXGWKFUZZSFIK-UHFFFAOYSA-N
XLogP0.64
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-hydroxy-2,2-dimethylhexanenitrile?
The IUPAC name of 3-amino-6-hydroxy-2,2-dimethylhexanenitrile (CID 138487485) is 3-amino-6-hydroxy-2,2-dimethylhexanenitrile.
What is the SMILES notation for 3-amino-6-hydroxy-2,2-dimethylhexanenitrile?
The canonical SMILES for 3-amino-6-hydroxy-2,2-dimethylhexanenitrile is CC(C)(C#N)C(N)CCCO.
What is the InChIKey of 3-amino-6-hydroxy-2,2-dimethylhexanenitrile?
The InChIKey is YXXGWKFUZZSFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,6-9)7(10)4-3-5-11/h7,11H,3-5,10H2,1-2H3.
What are the key properties of 3-amino-6-hydroxy-2,2-dimethylhexanenitrile?
3-amino-6-hydroxy-2,2-dimethylhexanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-hydroxy-2,2-dimethylhexanenitrile is sourced from PubChem (CID 138487485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).