N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide

C14H30N2O — CID 175630515

IUPACN-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)NC(=NC(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-12(2,3)10(16-14(7,8)9)15-11(17)13(4,5)6/h11,17H,1-9H3,(H,15,16)
InChIKeyBZDKHVOVYQAFBH-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.18
Rot. Bonds1

About N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide

N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide (PubChem CID 175630515) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide
PubChem CID175630515
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)NC(=NC(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-12(2,3)10(16-14(7,8)9)15-11(17)13(4,5)6/h11,17H,1-9H3,(H,15,16)
InChIKeyBZDKHVOVYQAFBH-UHFFFAOYSA-N
XLogP3.18
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide (CID 175630515) is N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide is CC(C)(C)NC(=NC(O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide?
The InChIKey is BZDKHVOVYQAFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2,3)10(16-14(7,8)9)15-11(17)13(4,5)6/h11,17H,1-9H3,(H,15,16).
What are the key properties of N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide?
N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide has a molecular weight of 242.41 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 175630515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).