N'-(oxan-4-ylmethyl)ethanimidamide

C8H16N2O — CID 63362724

IUPACN'-(oxan-4-ylmethyl)ethanimidamide
SMILESC/C(N)=N\CC1CCOCC1
InChIInChI=1S/C8H16N2O/c1-7(9)10-6-8-2-4-11-5-3-8/h8H,2-6H2,1H3,(H2,9,10)
InChIKeyGGCQFCQEQDHDLI-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.79
Rot. Bonds2

About N'-(oxan-4-ylmethyl)ethanimidamide

N'-(oxan-4-ylmethyl)ethanimidamide (PubChem CID 63362724) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-(oxan-4-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(oxan-4-ylmethyl)ethanimidamide
PubChem CID63362724
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-(oxan-4-ylmethyl)ethanimidamide
SMILESC/C(N)=N\CC1CCOCC1
InChIInChI=1S/C8H16N2O/c1-7(9)10-6-8-2-4-11-5-3-8/h8H,2-6H2,1H3,(H2,9,10)
InChIKeyGGCQFCQEQDHDLI-UHFFFAOYSA-N
XLogP0.79
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.79
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 N'-(oxan-4-ylmethyl)ethanimidamide?
The IUPAC name of N'-(oxan-4-ylmethyl)ethanimidamide (CID 63362724) is N'-(oxan-4-ylmethyl)ethanimidamide.
What is the SMILES notation for N'-(oxan-4-ylmethyl)ethanimidamide?
The canonical SMILES for N'-(oxan-4-ylmethyl)ethanimidamide is C/C(N)=N\CC1CCOCC1.
What is the InChIKey of N'-(oxan-4-ylmethyl)ethanimidamide?
The InChIKey is GGCQFCQEQDHDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9)10-6-8-2-4-11-5-3-8/h8H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-(oxan-4-ylmethyl)ethanimidamide?
N'-(oxan-4-ylmethyl)ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-4-ylmethyl)ethanimidamide is sourced from PubChem (CID 63362724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).