4-methoxy-N,N-dimethyloxane-4-carboximidamide

C9H18N2O2 — CID 116780095

IUPAC4-methoxy-N,N-dimethyloxane-4-carboximidamide
SMILES[H]/N=C(\N(C)C)C1(OC)CCOCC1
InChIInChI=1S/C9H18N2O2/c1-11(2)8(10)9(12-3)4-6-13-7-5-9/h10H,4-7H2,1-3H3/b10-8-
InChIKeyPNKICTBESQBJER-NTMALXAHSA-N
MW186.25 g/mol
LogP0.72
Rot. Bonds2

About 4-methoxy-N,N-dimethyloxane-4-carboximidamide

4-methoxy-N,N-dimethyloxane-4-carboximidamide (PubChem CID 116780095) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyloxane-4-carboximidamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyloxane-4-carboximidamide
PubChem CID116780095
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-methoxy-N,N-dimethyloxane-4-carboximidamide
SMILES[H]/N=C(\N(C)C)C1(OC)CCOCC1
InChIInChI=1S/C9H18N2O2/c1-11(2)8(10)9(12-3)4-6-13-7-5-9/h10H,4-7H2,1-3H3/b10-8-
InChIKeyPNKICTBESQBJER-NTMALXAHSA-N
XLogP0.72
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methoxy-N,N-dimethyloxane-4-carboximidamide?
The IUPAC name of 4-methoxy-N,N-dimethyloxane-4-carboximidamide (CID 116780095) is 4-methoxy-N,N-dimethyloxane-4-carboximidamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyloxane-4-carboximidamide?
The canonical SMILES for 4-methoxy-N,N-dimethyloxane-4-carboximidamide is [H]/N=C(\N(C)C)C1(OC)CCOCC1.
What is the InChIKey of 4-methoxy-N,N-dimethyloxane-4-carboximidamide?
The InChIKey is PNKICTBESQBJER-NTMALXAHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(2)8(10)9(12-3)4-6-13-7-5-9/h10H,4-7H2,1-3H3/b10-8-.
What are the key properties of 4-methoxy-N,N-dimethyloxane-4-carboximidamide?
4-methoxy-N,N-dimethyloxane-4-carboximidamide has a molecular weight of 186.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyloxane-4-carboximidamide is sourced from PubChem (CID 116780095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).