N,N'-ditert-butylpropanediamide

C11H22N2O2 — CID 21121557

IUPACN,N'-ditert-butylpropanediamide
SMILESCC(C)(C)NC(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)12-8(14)7-9(15)13-11(4,5)6/h7H2,1-6H3,(H,12,14)(H,13,15)
InChIKeyPIEQACJTHCFQNM-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.21
Rot. Bonds2

About N,N'-ditert-butylpropanediamide

N,N'-ditert-butylpropanediamide (PubChem CID 21121557) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N,N'-ditert-butylpropanediamide.

Molecular Properties

Compound NameN,N'-ditert-butylpropanediamide
PubChem CID21121557
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN,N'-ditert-butylpropanediamide
SMILESCC(C)(C)NC(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)12-8(14)7-9(15)13-11(4,5)6/h7H2,1-6H3,(H,12,14)(H,13,15)
InChIKeyPIEQACJTHCFQNM-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 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 ≤ 51.21
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 N,N'-ditert-butylpropanediamide?
The IUPAC name of N,N'-ditert-butylpropanediamide (CID 21121557) is N,N'-ditert-butylpropanediamide.
What is the SMILES notation for N,N'-ditert-butylpropanediamide?
The canonical SMILES for N,N'-ditert-butylpropanediamide is CC(C)(C)NC(=O)CC(=O)NC(C)(C)C.
What is the InChIKey of N,N'-ditert-butylpropanediamide?
The InChIKey is PIEQACJTHCFQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)12-8(14)7-9(15)13-11(4,5)6/h7H2,1-6H3,(H,12,14)(H,13,15).
What are the key properties of N,N'-ditert-butylpropanediamide?
N,N'-ditert-butylpropanediamide has a molecular weight of 214.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butylpropanediamide is sourced from PubChem (CID 21121557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).