2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide

C10H22N2O — CID 65252580

IUPAC2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC(C)(C)C
InChIInChI=1S/C10H22N2O/c1-9(2,3)13-7-6-10(4,5)8(11)12/h6-7H2,1-5H3,(H3,11,12)
InChIKeyPLYXZAFVCHNFKC-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.15
Rot. Bonds4

About 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide

2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide (PubChem CID 65252580) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide
PubChem CID65252580
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC(C)(C)C
InChIInChI=1S/C10H22N2O/c1-9(2,3)13-7-6-10(4,5)8(11)12/h6-7H2,1-5H3,(H3,11,12)
InChIKeyPLYXZAFVCHNFKC-UHFFFAOYSA-N
XLogP2.15
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.15
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-methylpropan-2-yl)oxy]butanimidamide?
The IUPAC name of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide (CID 65252580) is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide is [H]/N=C(\N)C(C)(C)CCOC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide?
The InChIKey is PLYXZAFVCHNFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2,3)13-7-6-10(4,5)8(11)12/h6-7H2,1-5H3,(H3,11,12).
What are the key properties of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide?
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide has a molecular weight of 186.30 g/mol, XLogP of 2.15, 4 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-methylpropan-2-yl)oxy]butanimidamide is sourced from PubChem (CID 65252580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).