4-methoxy-N'-methyloxane-4-carboximidamide

C8H16N2O2 — CID 116779939

IUPAC4-methoxy-N'-methyloxane-4-carboximidamide
SMILESC/N=C(\N)C1(OC)CCOCC1
InChIInChI=1S/C8H16N2O2/c1-10-7(9)8(11-2)3-5-12-6-4-8/h3-6H2,1-2H3,(H2,9,10)
InChIKeyCWVOSJHUVFAUEB-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.17
Rot. Bonds2

About 4-methoxy-N'-methyloxane-4-carboximidamide

4-methoxy-N'-methyloxane-4-carboximidamide (PubChem CID 116779939) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-methoxy-N'-methyloxane-4-carboximidamide.

Molecular Properties

Compound Name4-methoxy-N'-methyloxane-4-carboximidamide
PubChem CID116779939
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-methoxy-N'-methyloxane-4-carboximidamide
SMILESC/N=C(\N)C1(OC)CCOCC1
InChIInChI=1S/C8H16N2O2/c1-10-7(9)8(11-2)3-5-12-6-4-8/h3-6H2,1-2H3,(H2,9,10)
InChIKeyCWVOSJHUVFAUEB-UHFFFAOYSA-N
XLogP0.17
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.17
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'}

Analyze 4-methoxy-N'-methyloxane-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N'-propyloxane-4-carboximidamide
CID 116779981
methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate
CID 154109072
1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
CID 116779952
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide
CID 114284281
(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone
CID 131001089
(4-methyloxan-4-yl) carbamate
CID 141404618
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
1-(4-methoxyoxan-4-yl)-2-(oxan-4-yl)ethanone
CID 116748604
1-(4-methoxyoxan-4-yl)pent-3-yn-1-one
CID 116748548
1-(4-methoxyoxan-4-yl)-4,4-dimethylpentan-1-one
CID 116748551
N'-ethyl-1-methoxy-4-methylcyclohexane-1-carboximidamide
CID 116779972

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-methyloxane-4-carboximidamide?
The IUPAC name of 4-methoxy-N'-methyloxane-4-carboximidamide (CID 116779939) is 4-methoxy-N'-methyloxane-4-carboximidamide.
What is the SMILES notation for 4-methoxy-N'-methyloxane-4-carboximidamide?
The canonical SMILES for 4-methoxy-N'-methyloxane-4-carboximidamide is C/N=C(\N)C1(OC)CCOCC1.
What is the InChIKey of 4-methoxy-N'-methyloxane-4-carboximidamide?
The InChIKey is CWVOSJHUVFAUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10-7(9)8(11-2)3-5-12-6-4-8/h3-6H2,1-2H3,(H2,9,10).
What are the key properties of 4-methoxy-N'-methyloxane-4-carboximidamide?
4-methoxy-N'-methyloxane-4-carboximidamide has a molecular weight of 172.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-methyloxane-4-carboximidamide is sourced from PubChem (CID 116779939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).