N,N'-ditert-butylpropanimidamide

C11H24N2 — CID 15249713

IUPACN,N'-ditert-butylpropanimidamide
SMILESCC/C(=N\C(C)(C)C)NC(C)(C)C
InChIInChI=1S/C11H24N2/c1-8-9(12-10(2,3)4)13-11(5,6)7/h8H2,1-7H3,(H,12,13)
InChIKeyJXZVLKHNJBATBD-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.98
Rot. Bonds1

About N,N'-ditert-butylpropanimidamide

N,N'-ditert-butylpropanimidamide (PubChem CID 15249713) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N,N'-ditert-butylpropanimidamide.

Molecular Properties

Compound NameN,N'-ditert-butylpropanimidamide
PubChem CID15249713
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN,N'-ditert-butylpropanimidamide
SMILESCC/C(=N\C(C)(C)C)NC(C)(C)C
InChIInChI=1S/C11H24N2/c1-8-9(12-10(2,3)4)13-11(5,6)7/h8H2,1-7H3,(H,12,13)
InChIKeyJXZVLKHNJBATBD-UHFFFAOYSA-N
XLogP2.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butylpropanimidamide?
The IUPAC name of N,N'-ditert-butylpropanimidamide (CID 15249713) is N,N'-ditert-butylpropanimidamide.
What is the SMILES notation for N,N'-ditert-butylpropanimidamide?
The canonical SMILES for N,N'-ditert-butylpropanimidamide is CC/C(=N\C(C)(C)C)NC(C)(C)C.
What is the InChIKey of N,N'-ditert-butylpropanimidamide?
The InChIKey is JXZVLKHNJBATBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-8-9(12-10(2,3)4)13-11(5,6)7/h8H2,1-7H3,(H,12,13).
What are the key properties of N,N'-ditert-butylpropanimidamide?
N,N'-ditert-butylpropanimidamide has a molecular weight of 184.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butylpropanimidamide is sourced from PubChem (CID 15249713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).