2,2-ditert-butylpropanediamide

C11H22N2O2 — CID 91330204

IUPAC2,2-ditert-butylpropanediamide
SMILESCC(C)(C)C(C(N)=O)(C(N)=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2,3)11(7(12)14,8(13)15)10(4,5)6/h1-6H3,(H2,12,14)(H2,13,15)
InChIKeyCNOQYZAFCIRLEN-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.04
Rot. Bonds2

About 2,2-ditert-butylpropanediamide

2,2-ditert-butylpropanediamide (PubChem CID 91330204) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,2-ditert-butylpropanediamide.

Molecular Properties

Compound Name2,2-ditert-butylpropanediamide
PubChem CID91330204
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2,2-ditert-butylpropanediamide
SMILESCC(C)(C)C(C(N)=O)(C(N)=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2,3)11(7(12)14,8(13)15)10(4,5)6/h1-6H3,(H2,12,14)(H2,13,15)
InChIKeyCNOQYZAFCIRLEN-UHFFFAOYSA-N
XLogP1.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-Diethylpropanediamide
CID 299199
2-Ethyl-3-methyl-2-(propan-2-yl)butanamide
CID 348289
Methyl-diisopropylacetamide
CID 348281
Dipropylmalonamid
CID 87514346
2-Ethyl-2-isobutylmalonamide
CID 3029209
2-Ethyl-2-propylmalonamide
CID 3029211
Methylbutylmalonamide
CID 12013700
2-Butyl-2-ethylmalonamide
CID 3029208
2,2-Diethyl-3-methylbutanamide
CID 22178474
2-Tert-butyl-2,3,3-trimethylbutanamide
CID 22974377
2-Acetyl-2,3-dimethylbutanamide
CID 57302281
2,2-Diethyl-3,3-dimethylbutanamide
CID 60206711

Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butylpropanediamide?
The IUPAC name of 2,2-ditert-butylpropanediamide (CID 91330204) is 2,2-ditert-butylpropanediamide.
What is the SMILES notation for 2,2-ditert-butylpropanediamide?
The canonical SMILES for 2,2-ditert-butylpropanediamide is CC(C)(C)C(C(N)=O)(C(N)=O)C(C)(C)C.
What is the InChIKey of 2,2-ditert-butylpropanediamide?
The InChIKey is CNOQYZAFCIRLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2,3)11(7(12)14,8(13)15)10(4,5)6/h1-6H3,(H2,12,14)(H2,13,15).
What are the key properties of 2,2-ditert-butylpropanediamide?
2,2-ditert-butylpropanediamide has a molecular weight of 214.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butylpropanediamide is sourced from PubChem (CID 91330204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).