3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile

C14H22N4O — CID 135379832

IUPAC3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile
SMILESCC(C)(C#N)ON(C(C#N)C(C)(C)C#N)C(C)(C)C
InChIInChI=1S/C14H22N4O/c1-12(2,3)18(19-14(6,7)10-17)11(8-15)13(4,5)9-16/h11H,1-7H3
InChIKeyMHYXZQRZGNBTNW-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.76
Rot. Bonds4

About 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile

3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile (PubChem CID 135379832) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile.

Molecular Properties

Compound Name3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile
PubChem CID135379832
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile
SMILESCC(C)(C#N)ON(C(C#N)C(C)(C)C#N)C(C)(C)C
InChIInChI=1S/C14H22N4O/c1-12(2,3)18(19-14(6,7)10-17)11(8-15)13(4,5)9-16/h11H,1-7H3
InChIKeyMHYXZQRZGNBTNW-UHFFFAOYSA-N
XLogP2.76
TPSA83.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile?
The IUPAC name of 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile (CID 135379832) is 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile.
What is the SMILES notation for 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile?
The canonical SMILES for 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile is CC(C)(C#N)ON(C(C#N)C(C)(C)C#N)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile?
The InChIKey is MHYXZQRZGNBTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12(2,3)18(19-14(6,7)10-17)11(8-15)13(4,5)9-16/h11H,1-7H3.
What are the key properties of 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile?
3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile has a molecular weight of 262.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(2-cyanopropan-2-yloxy)amino]-2,2-dimethylbutanedinitrile is sourced from PubChem (CID 135379832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).