2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide

C11H22N2O — CID 63175781

IUPAC2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide
SMILESCC(/N=C(\N)C(C)(C)C)C1CCCO1
InChIInChI=1S/C11H22N2O/c1-8(9-6-5-7-14-9)13-10(12)11(2,3)4/h8-9H,5-7H2,1-4H3,(H2,12,13)
InChIKeyBBLPJSBUYXPQKH-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.96
Rot. Bonds2

About 2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide

2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide (PubChem CID 63175781) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide
PubChem CID63175781
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide
SMILESCC(/N=C(\N)C(C)(C)C)C1CCCO1
InChIInChI=1S/C11H22N2O/c1-8(9-6-5-7-14-9)13-10(12)11(2,3)4/h8-9H,5-7H2,1-4H3,(H2,12,13)
InChIKeyBBLPJSBUYXPQKH-UHFFFAOYSA-N
XLogP1.96
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
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-N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide (CID 63175781) is 2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide is CC(/N=C(\N)C(C)(C)C)C1CCCO1.
What is the InChIKey of 2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
The InChIKey is BBLPJSBUYXPQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(9-6-5-7-14-9)13-10(12)11(2,3)4/h8-9H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide has a molecular weight of 198.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide is sourced from PubChem (CID 63175781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).