N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide

C11H24N2 — CID 59404210

IUPACN-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide
SMILESC/C(=N\CC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C11H24N2/c1-9(13-11(5,6)7)12-8-10(2,3)4/h8H2,1-7H3,(H,12,13)
InChIKeyNPBUIIKMPOAVNK-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.84
Rot. Bonds1

About N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide

N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide (PubChem CID 59404210) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide
PubChem CID59404210
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide
SMILESC/C(=N\CC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C11H24N2/c1-9(13-11(5,6)7)12-8-10(2,3)4/h8H2,1-7H3,(H,12,13)
InChIKeyNPBUIIKMPOAVNK-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide?
The IUPAC name of N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide (CID 59404210) is N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide?
The canonical SMILES for N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide is C/C(=N\CC(C)(C)C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide?
The InChIKey is NPBUIIKMPOAVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(13-11(5,6)7)12-8-10(2,3)4/h8H2,1-7H3,(H,12,13).
What are the key properties of N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide?
N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide has a molecular weight of 184.33 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2,2-dimethylpropyl)ethanimidamide is sourced from PubChem (CID 59404210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).