N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide

C11H20N2O — CID 130802880

IUPACN'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide
SMILESCCC/C(N)=N\C1CCC2CCC1O2
InChIInChI=1S/C11H20N2O/c1-2-3-11(12)13-9-6-4-8-5-7-10(9)14-8/h8-10H,2-7H2,1H3,(H2,12,13)
InChIKeyBYRULPIAIZKQAG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.85
Rot. Bonds3

About N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide

N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide (PubChem CID 130802880) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide.

Molecular Properties

Compound NameN'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide
PubChem CID130802880
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide
SMILESCCC/C(N)=N\C1CCC2CCC1O2
InChIInChI=1S/C11H20N2O/c1-2-3-11(12)13-9-6-4-8-5-7-10(9)14-8/h8-10H,2-7H2,1H3,(H2,12,13)
InChIKeyBYRULPIAIZKQAG-UHFFFAOYSA-N
XLogP1.85
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.85
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

2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide
CID 80732154
N'-(2,2-dimethylcyclohexyl)butanimidamide
CID 79872965
1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine
CID 80733007
N'-(1-methylpyrrolidin-3-yl)butanimidamide
CID 63177561
N'-cyclopropylpentanimidamide
CID 79413074
N'-(2-ethylcyclopentyl)propanimidamide
CID 130778450
N'-(2-methylcyclohexyl)propanimidamide
CID 63178869
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
2-(1-aminobutylideneamino)-N-cyclopropylacetamide
CID 63175544
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide
CID 80720866
N'-(4-methylcyclohexyl)propanimidamide
CID 62049807
N-(1-aminobutylidene)cyclobutanecarboxamide
CID 130944346

Frequently Asked Questions

What is the IUPAC name of N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide?
The IUPAC name of N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide (CID 130802880) is N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide.
What is the SMILES notation for N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide?
The canonical SMILES for N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide is CCC/C(N)=N\C1CCC2CCC1O2.
What is the InChIKey of N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide?
The InChIKey is BYRULPIAIZKQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-11(12)13-9-6-4-8-5-7-10(9)14-8/h8-10H,2-7H2,1H3,(H2,12,13).
What are the key properties of N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide?
N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide has a molecular weight of 196.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide is sourced from PubChem (CID 130802880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).