5-amino-4,4-dimethylpentanenitrile

C7H14N2 — CID 20774360

IUPAC5-amino-4,4-dimethylpentanenitrile
SMILESCC(C)(CN)CCC#N
InChIInChI=1S/C7H14N2/c1-7(2,6-9)4-3-5-8/h3-4,6,9H2,1-2H3
InChIKeyDOTRITKLFCDSOA-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.28
Rot. Bonds3

About 5-amino-4,4-dimethylpentanenitrile

5-amino-4,4-dimethylpentanenitrile (PubChem CID 20774360) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-amino-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-amino-4,4-dimethylpentanenitrile
PubChem CID20774360
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name5-amino-4,4-dimethylpentanenitrile
SMILESCC(C)(CN)CCC#N
InChIInChI=1S/C7H14N2/c1-7(2,6-9)4-3-5-8/h3-4,6,9H2,1-2H3
InChIKeyDOTRITKLFCDSOA-UHFFFAOYSA-N
XLogP1.28
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,4-dimethylpentanenitrile?
The IUPAC name of 5-amino-4,4-dimethylpentanenitrile (CID 20774360) is 5-amino-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-amino-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-amino-4,4-dimethylpentanenitrile is CC(C)(CN)CCC#N.
What is the InChIKey of 5-amino-4,4-dimethylpentanenitrile?
The InChIKey is DOTRITKLFCDSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2,6-9)4-3-5-8/h3-4,6,9H2,1-2H3.
What are the key properties of 5-amino-4,4-dimethylpentanenitrile?
5-amino-4,4-dimethylpentanenitrile has a molecular weight of 126.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4-dimethylpentanenitrile is sourced from PubChem (CID 20774360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).