N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide

C8H15N3O — CID 118973471

IUPACN'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide
SMILES[H]/N=C/N=C/N(C)C1CCOCC1
InChIInChI=1S/C8H15N3O/c1-11(7-10-6-9)8-2-4-12-5-3-8/h6-9H,2-5H2,1H3/b9-6+,10-7+
InChIKeyIEPJNGMGSWDJJH-KZZDLZNXSA-N
MW169.23 g/mol
LogP0.73
Rot. Bonds3

About N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide

N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide (PubChem CID 118973471) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide
PubChem CID118973471
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide
SMILES[H]/N=C/N=C/N(C)C1CCOCC1
InChIInChI=1S/C8H15N3O/c1-11(7-10-6-9)8-2-4-12-5-3-8/h6-9H,2-5H2,1H3/b9-6+,10-7+
InChIKeyIEPJNGMGSWDJJH-KZZDLZNXSA-N
XLogP0.73
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.73
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'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide?
The IUPAC name of N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide (CID 118973471) is N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide.
What is the SMILES notation for N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide?
The canonical SMILES for N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide is [H]/N=C/N=C/N(C)C1CCOCC1.
What is the InChIKey of N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide?
The InChIKey is IEPJNGMGSWDJJH-KZZDLZNXSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11(7-10-6-9)8-2-4-12-5-3-8/h6-9H,2-5H2,1H3/b9-6+,10-7+.
What are the key properties of N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide?
N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide has a molecular weight of 169.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide is sourced from PubChem (CID 118973471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).