2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide

C11H22N2O — CID 63707943

IUPAC2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide
SMILESCC(C)(C)/C(N)=N/CC1CCOCC1
InChIInChI=1S/C11H22N2O/c1-11(2,3)10(12)13-8-9-4-6-14-7-5-9/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyJFNTTYFDJAHJTE-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.82
Rot. Bonds2

About 2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide

2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide (PubChem CID 63707943) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide
PubChem CID63707943
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide
SMILESCC(C)(C)/C(N)=N/CC1CCOCC1
InChIInChI=1S/C11H22N2O/c1-11(2,3)10(12)13-8-9-4-6-14-7-5-9/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyJFNTTYFDJAHJTE-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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'-(oxan-4-ylmethyl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide (CID 63707943) is 2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide is CC(C)(C)/C(N)=N/CC1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide?
The InChIKey is JFNTTYFDJAHJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)10(12)13-8-9-4-6-14-7-5-9/h9H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide?
2,2-dimethyl-N'-(oxan-4-ylmethyl)propanimidamide has a molecular weight of 198.31 g/mol, XLogP of 1.82, 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'-(oxan-4-ylmethyl)propanimidamide is sourced from PubChem (CID 63707943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).