4-amino-3,3-dimethylbutanenitrile

C6H12N2 — CID 82502374

IUPAC4-amino-3,3-dimethylbutanenitrile
SMILESCC(C)(CN)CC#N
InChIInChI=1S/C6H12N2/c1-6(2,5-8)3-4-7/h3,5,8H2,1-2H3
InChIKeyJVCIPDZAMBNKBX-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.88
Rot. Bonds2

About 4-amino-3,3-dimethylbutanenitrile

4-amino-3,3-dimethylbutanenitrile (PubChem CID 82502374) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-amino-3,3-dimethylbutanenitrile.

Molecular Properties

Compound Name4-amino-3,3-dimethylbutanenitrile
PubChem CID82502374
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-amino-3,3-dimethylbutanenitrile
SMILESCC(C)(CN)CC#N
InChIInChI=1S/C6H12N2/c1-6(2,5-8)3-4-7/h3,5,8H2,1-2H3
InChIKeyJVCIPDZAMBNKBX-UHFFFAOYSA-N
XLogP0.88
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethylbutanenitrile?
The IUPAC name of 4-amino-3,3-dimethylbutanenitrile (CID 82502374) is 4-amino-3,3-dimethylbutanenitrile.
What is the SMILES notation for 4-amino-3,3-dimethylbutanenitrile?
The canonical SMILES for 4-amino-3,3-dimethylbutanenitrile is CC(C)(CN)CC#N.
What is the InChIKey of 4-amino-3,3-dimethylbutanenitrile?
The InChIKey is JVCIPDZAMBNKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2,5-8)3-4-7/h3,5,8H2,1-2H3.
What are the key properties of 4-amino-3,3-dimethylbutanenitrile?
4-amino-3,3-dimethylbutanenitrile has a molecular weight of 112.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethylbutanenitrile is sourced from PubChem (CID 82502374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).