6-amino-2,2-dimethylhexanenitrile

C8H16N2 — CID 106708914

IUPAC6-amino-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCN
InChIInChI=1S/C8H16N2/c1-8(2,7-10)5-3-4-6-9/h3-6,9H2,1-2H3
InChIKeyFUIUXSFTLHUEOI-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.67
Rot. Bonds4

About 6-amino-2,2-dimethylhexanenitrile

6-amino-2,2-dimethylhexanenitrile (PubChem CID 106708914) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 6-amino-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-amino-2,2-dimethylhexanenitrile
PubChem CID106708914
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name6-amino-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCN
InChIInChI=1S/C8H16N2/c1-8(2,7-10)5-3-4-6-9/h3-6,9H2,1-2H3
InChIKeyFUIUXSFTLHUEOI-UHFFFAOYSA-N
XLogP1.67
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2-dimethylhexanenitrile?
The IUPAC name of 6-amino-2,2-dimethylhexanenitrile (CID 106708914) is 6-amino-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-amino-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-amino-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCN.
What is the InChIKey of 6-amino-2,2-dimethylhexanenitrile?
The InChIKey is FUIUXSFTLHUEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,7-10)5-3-4-6-9/h3-6,9H2,1-2H3.
What are the key properties of 6-amino-2,2-dimethylhexanenitrile?
6-amino-2,2-dimethylhexanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106708914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).