(4-hydroxy-2,2-dimethylbutyl)cyanamide

C7H14N2O — CID 106146768

IUPAC(4-hydroxy-2,2-dimethylbutyl)cyanamide
SMILESCC(C)(CCO)CNC#N
InChIInChI=1S/C7H14N2O/c1-7(2,3-4-10)5-9-6-8/h9-10H,3-5H2,1-2H3
InChIKeyQJBQVWKYVMOZQX-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.47
Rot. Bonds4

About (4-hydroxy-2,2-dimethylbutyl)cyanamide

(4-hydroxy-2,2-dimethylbutyl)cyanamide (PubChem CID 106146768) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (4-hydroxy-2,2-dimethylbutyl)cyanamide.

Molecular Properties

Compound Name(4-hydroxy-2,2-dimethylbutyl)cyanamide
PubChem CID106146768
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(4-hydroxy-2,2-dimethylbutyl)cyanamide
SMILESCC(C)(CCO)CNC#N
InChIInChI=1S/C7H14N2O/c1-7(2,3-4-10)5-9-6-8/h9-10H,3-5H2,1-2H3
InChIKeyQJBQVWKYVMOZQX-UHFFFAOYSA-N
XLogP0.47
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4-hydroxy-2,2-dimethylbutyl)cyanamide?
The IUPAC name of (4-hydroxy-2,2-dimethylbutyl)cyanamide (CID 106146768) is (4-hydroxy-2,2-dimethylbutyl)cyanamide.
What is the SMILES notation for (4-hydroxy-2,2-dimethylbutyl)cyanamide?
The canonical SMILES for (4-hydroxy-2,2-dimethylbutyl)cyanamide is CC(C)(CCO)CNC#N.
What is the InChIKey of (4-hydroxy-2,2-dimethylbutyl)cyanamide?
The InChIKey is QJBQVWKYVMOZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2,3-4-10)5-9-6-8/h9-10H,3-5H2,1-2H3.
What are the key properties of (4-hydroxy-2,2-dimethylbutyl)cyanamide?
(4-hydroxy-2,2-dimethylbutyl)cyanamide has a molecular weight of 142.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,2-dimethylbutyl)cyanamide is sourced from PubChem (CID 106146768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).