2-tert-butylpropanediamide

C7H14N2O2 — CID 13212234

IUPAC2-tert-butylpropanediamide
SMILESCC(C)(C)C(C(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-7(2,3)4(5(8)10)6(9)11/h4H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyYCNKEOLIEPPOJU-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.38
Rot. Bonds2

About 2-tert-butylpropanediamide

2-tert-butylpropanediamide (PubChem CID 13212234) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-tert-butylpropanediamide.

Molecular Properties

Compound Name2-tert-butylpropanediamide
PubChem CID13212234
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-tert-butylpropanediamide
SMILESCC(C)(C)C(C(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-7(2,3)4(5(8)10)6(9)11/h4H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyYCNKEOLIEPPOJU-UHFFFAOYSA-N
XLogP-0.38
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.38
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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpropanediamide?
The IUPAC name of 2-tert-butylpropanediamide (CID 13212234) is 2-tert-butylpropanediamide.
What is the SMILES notation for 2-tert-butylpropanediamide?
The canonical SMILES for 2-tert-butylpropanediamide is CC(C)(C)C(C(N)=O)C(N)=O.
What is the InChIKey of 2-tert-butylpropanediamide?
The InChIKey is YCNKEOLIEPPOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(2,3)4(5(8)10)6(9)11/h4H,1-3H3,(H2,8,10)(H2,9,11).
What are the key properties of 2-tert-butylpropanediamide?
2-tert-butylpropanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpropanediamide is sourced from PubChem (CID 13212234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).