N-cyano-N,3,3-trimethylbutanamide

C8H14N2O — CID 130684370

IUPACN-cyano-N,3,3-trimethylbutanamide
SMILESCN(C#N)C(=O)CC(C)(C)C
InChIInChI=1S/C8H14N2O/c1-8(2,3)5-7(11)10(4)6-9/h5H2,1-4H3
InChIKeyNITSLPRXYAADKE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.36
Rot. Bonds1

About N-cyano-N,3,3-trimethylbutanamide

N-cyano-N,3,3-trimethylbutanamide (PubChem CID 130684370) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-cyano-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-cyano-N,3,3-trimethylbutanamide
PubChem CID130684370
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-cyano-N,3,3-trimethylbutanamide
SMILESCN(C#N)C(=O)CC(C)(C)C
InChIInChI=1S/C8H14N2O/c1-8(2,3)5-7(11)10(4)6-9/h5H2,1-4H3
InChIKeyNITSLPRXYAADKE-UHFFFAOYSA-N
XLogP1.36
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-N,3,3-trimethylbutanamide?
The IUPAC name of N-cyano-N,3,3-trimethylbutanamide (CID 130684370) is N-cyano-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-cyano-N,3,3-trimethylbutanamide?
The canonical SMILES for N-cyano-N,3,3-trimethylbutanamide is CN(C#N)C(=O)CC(C)(C)C.
What is the InChIKey of N-cyano-N,3,3-trimethylbutanamide?
The InChIKey is NITSLPRXYAADKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)5-7(11)10(4)6-9/h5H2,1-4H3.
What are the key properties of N-cyano-N,3,3-trimethylbutanamide?
N-cyano-N,3,3-trimethylbutanamide has a molecular weight of 154.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N,3,3-trimethylbutanamide is sourced from PubChem (CID 130684370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).