N'-ethyl-N-methylideneoxane-4-carboximidamide

C9H16N2O — CID 123212176

IUPACN'-ethyl-N-methylideneoxane-4-carboximidamide
SMILESC=N/C(=N\CC)C1CCOCC1
InChIInChI=1S/C9H16N2O/c1-3-11-9(10-2)8-4-6-12-7-5-8/h8H,2-7H2,1H3/b11-9-
InChIKeyDYBRHSMBEKVIIZ-LUAWRHEFSA-N
MW168.24 g/mol
LogP1.53
Rot. Bonds2

About N'-ethyl-N-methylideneoxane-4-carboximidamide

N'-ethyl-N-methylideneoxane-4-carboximidamide (PubChem CID 123212176) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-ethyl-N-methylideneoxane-4-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-N-methylideneoxane-4-carboximidamide
PubChem CID123212176
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN'-ethyl-N-methylideneoxane-4-carboximidamide
SMILESC=N/C(=N\CC)C1CCOCC1
InChIInChI=1S/C9H16N2O/c1-3-11-9(10-2)8-4-6-12-7-5-8/h8H,2-7H2,1H3/b11-9-
InChIKeyDYBRHSMBEKVIIZ-LUAWRHEFSA-N
XLogP1.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
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'-ethyl-N-methylideneoxane-4-carboximidamide?
The IUPAC name of N'-ethyl-N-methylideneoxane-4-carboximidamide (CID 123212176) is N'-ethyl-N-methylideneoxane-4-carboximidamide.
What is the SMILES notation for N'-ethyl-N-methylideneoxane-4-carboximidamide?
The canonical SMILES for N'-ethyl-N-methylideneoxane-4-carboximidamide is C=N/C(=N\CC)C1CCOCC1.
What is the InChIKey of N'-ethyl-N-methylideneoxane-4-carboximidamide?
The InChIKey is DYBRHSMBEKVIIZ-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-11-9(10-2)8-4-6-12-7-5-8/h8H,2-7H2,1H3/b11-9-.
What are the key properties of N'-ethyl-N-methylideneoxane-4-carboximidamide?
N'-ethyl-N-methylideneoxane-4-carboximidamide has a molecular weight of 168.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methylideneoxane-4-carboximidamide is sourced from PubChem (CID 123212176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).