2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide

C11H20N2O — CID 80732154

IUPAC2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide
SMILESCC(C)(C)/C(N)=N/C1CC2CCC1O2
InChIInChI=1S/C11H20N2O/c1-11(2,3)10(12)13-8-6-7-4-5-9(8)14-7/h7-9H,4-6H2,1-3H3,(H2,12,13)
InChIKeyHKJZNOZOEIZSIS-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.71
Rot. Bonds1

About 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide

2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide (PubChem CID 80732154) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide
PubChem CID80732154
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide
SMILESCC(C)(C)/C(N)=N/C1CC2CCC1O2
InChIInChI=1S/C11H20N2O/c1-11(2,3)10(12)13-8-6-7-4-5-9(8)14-7/h7-9H,4-6H2,1-3H3,(H2,12,13)
InChIKeyHKJZNOZOEIZSIS-UHFFFAOYSA-N
XLogP1.71
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.71
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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Related Compounds

1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine
CID 80733007
N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide
CID 130802880
(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 73357616
(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
CID 59747310
[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 144577021
2-methyl-N'-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanimidamide
CID 130505243
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
2-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]guanidine;hydroiodide
CID 130921427
N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide
CID 80719367
2-(2-methylbutan-2-yl)-7-oxabicyclo[2.2.1]heptane
CID 167076550
3-amino-2,2,3-trimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721255
2-methylsulfanylethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 126663970

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide (CID 80732154) is 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide is CC(C)(C)/C(N)=N/C1CC2CCC1O2.
What is the InChIKey of 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide?
The InChIKey is HKJZNOZOEIZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)10(12)13-8-6-7-4-5-9(8)14-7/h7-9H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide?
2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide has a molecular weight of 196.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide is sourced from PubChem (CID 80732154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).