2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide

C16H26N2O — CID 65251563

IUPAC2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26N2O/c1-11(2)13-7-6-12(3)14(10-13)19-9-8-16(4,5)15(17)18/h6-7,10-11H,8-9H2,1-5H3,(H3,17,18)
InChIKeyRIFQDVIPODJJCK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.85
Rot. Bonds6

About 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide

2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide (PubChem CID 65251563) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide
PubChem CID65251563
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26N2O/c1-11(2)13-7-6-12(3)14(10-13)19-9-8-16(4,5)15(17)18/h6-7,10-11H,8-9H2,1-5H3,(H3,17,18)
InChIKeyRIFQDVIPODJJCK-UHFFFAOYSA-N
XLogP3.85
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.85
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 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide?
The IUPAC name of 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide (CID 65251563) is 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide is [H]/N=C(\N)C(C)(C)CCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide?
The InChIKey is RIFQDVIPODJJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)13-7-6-12(3)14(10-13)19-9-8-16(4,5)15(17)18/h6-7,10-11H,8-9H2,1-5H3,(H3,17,18).
What are the key properties of 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide?
2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide has a molecular weight of 262.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide is sourced from PubChem (CID 65251563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).