N,N-diethyl-4-methoxyoxane-4-carboximidamide

C11H22N2O2 — CID 116780115

IUPACN,N-diethyl-4-methoxyoxane-4-carboximidamide
SMILES[H]/N=C(\N(CC)CC)C1(OC)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-4-13(5-2)10(12)11(14-3)6-8-15-9-7-11/h12H,4-9H2,1-3H3/b12-10-
InChIKeyAIIKZOWXQQKFBV-BENRWUELSA-N
MW214.31 g/mol
LogP1.50
Rot. Bonds4

About N,N-diethyl-4-methoxyoxane-4-carboximidamide

N,N-diethyl-4-methoxyoxane-4-carboximidamide (PubChem CID 116780115) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N,N-diethyl-4-methoxyoxane-4-carboximidamide.

Molecular Properties

Compound NameN,N-diethyl-4-methoxyoxane-4-carboximidamide
PubChem CID116780115
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN,N-diethyl-4-methoxyoxane-4-carboximidamide
SMILES[H]/N=C(\N(CC)CC)C1(OC)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-4-13(5-2)10(12)11(14-3)6-8-15-9-7-11/h12H,4-9H2,1-3H3/b12-10-
InChIKeyAIIKZOWXQQKFBV-BENRWUELSA-N
XLogP1.50
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.50
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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Related Compounds

1-Imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol
CID 137391361
N,N-diethyl-2-methyloxane-2-carboximidamide
CID 80681501
(1-Methoxycyclopentyl)-morpholin-4-ylmethanimine
CID 104611956
(4-Methoxyoxan-4-yl)-(4-methylpiperazin-1-yl)methanimine
CID 113563266
(4-Ethoxyoxan-4-yl)-(4-methylpiperazin-1-yl)methanimine
CID 113563267
2-[2-[Methyl(oxan-4-ylmethyl)amino]ethoxy]propanimidamide
CID 114266431
4-[(4-Hydroxyoxan-4-yl)methyl-methylamino]butanimidamide
CID 114949806
4-[(4-Hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylbutanimidamide
CID 114949821
2-Ethoxy-2-methyl-1-piperidin-1-ylpropan-1-imine
CID 116732444
(1-Methoxycyclobutyl)-morpholin-4-ylmethanimine
CID 116732461
4-methoxy-N,N-dimethyloxane-4-carboximidamide
CID 116780095
4-ethoxy-N,N-dimethyloxane-4-carboximidamide
CID 116780098

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxyoxane-4-carboximidamide?
The IUPAC name of N,N-diethyl-4-methoxyoxane-4-carboximidamide (CID 116780115) is N,N-diethyl-4-methoxyoxane-4-carboximidamide.
What is the SMILES notation for N,N-diethyl-4-methoxyoxane-4-carboximidamide?
The canonical SMILES for N,N-diethyl-4-methoxyoxane-4-carboximidamide is [H]/N=C(\N(CC)CC)C1(OC)CCOCC1.
What is the InChIKey of N,N-diethyl-4-methoxyoxane-4-carboximidamide?
The InChIKey is AIIKZOWXQQKFBV-BENRWUELSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13(5-2)10(12)11(14-3)6-8-15-9-7-11/h12H,4-9H2,1-3H3/b12-10-.
What are the key properties of N,N-diethyl-4-methoxyoxane-4-carboximidamide?
N,N-diethyl-4-methoxyoxane-4-carboximidamide has a molecular weight of 214.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxyoxane-4-carboximidamide is sourced from PubChem (CID 116780115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).