N'-methyloxane-4-carboximidamide

C7H14N2O — CID 65334519

IUPACN'-methyloxane-4-carboximidamide
SMILESC/N=C(\N)C1CCOCC1
InChIInChI=1S/C7H14N2O/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3,(H2,8,9)
InChIKeyNDWRZSNCEKAYJX-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.40
Rot. Bonds1

About N'-methyloxane-4-carboximidamide

N'-methyloxane-4-carboximidamide (PubChem CID 65334519) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N'-methyloxane-4-carboximidamide.

Molecular Properties

Compound NameN'-methyloxane-4-carboximidamide
PubChem CID65334519
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN'-methyloxane-4-carboximidamide
SMILESC/N=C(\N)C1CCOCC1
InChIInChI=1S/C7H14N2O/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3,(H2,8,9)
InChIKeyNDWRZSNCEKAYJX-UHFFFAOYSA-N
XLogP0.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.40
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'-methyloxane-4-carboximidamide?
The IUPAC name of N'-methyloxane-4-carboximidamide (CID 65334519) is N'-methyloxane-4-carboximidamide.
What is the SMILES notation for N'-methyloxane-4-carboximidamide?
The canonical SMILES for N'-methyloxane-4-carboximidamide is C/N=C(\N)C1CCOCC1.
What is the InChIKey of N'-methyloxane-4-carboximidamide?
The InChIKey is NDWRZSNCEKAYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3,(H2,8,9).
What are the key properties of N'-methyloxane-4-carboximidamide?
N'-methyloxane-4-carboximidamide has a molecular weight of 142.20 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyloxane-4-carboximidamide is sourced from PubChem (CID 65334519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).