N-methanidyl-N-methyloxan-4-amine

C7H14NO- — CID 59835792

IUPACN-methanidyl-N-methyloxan-4-amine
SMILES[CH2-]N(C)C1CCOCC1
InChIInChI=1S/C7H14NO/c1-8(2)7-3-5-9-6-4-7/h7H,1,3-6H2,2H3/q-1
InChIKeyNVYRPZUDMOQXQZ-UHFFFAOYSA-N
MW128.19 g/mol
LogP0.89
Rot. Bonds1

About N-methanidyl-N-methyloxan-4-amine

N-methanidyl-N-methyloxan-4-amine (PubChem CID 59835792) has the molecular formula C7H14NO- and a molecular weight of 128.19 g/mol. Its IUPAC name is N-methanidyl-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-methanidyl-N-methyloxan-4-amine
PubChem CID59835792
Molecular FormulaC7H14NO-
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC NameN-methanidyl-N-methyloxan-4-amine
SMILES[CH2-]N(C)C1CCOCC1
InChIInChI=1S/C7H14NO/c1-8(2)7-3-5-9-6-4-7/h7H,1,3-6H2,2H3/q-1
InChIKeyNVYRPZUDMOQXQZ-UHFFFAOYSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methanidyl-N-methyloxan-4-amine?
The IUPAC name of N-methanidyl-N-methyloxan-4-amine (CID 59835792) is N-methanidyl-N-methyloxan-4-amine.
What is the SMILES notation for N-methanidyl-N-methyloxan-4-amine?
The canonical SMILES for N-methanidyl-N-methyloxan-4-amine is [CH2-]N(C)C1CCOCC1.
What is the InChIKey of N-methanidyl-N-methyloxan-4-amine?
The InChIKey is NVYRPZUDMOQXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO/c1-8(2)7-3-5-9-6-4-7/h7H,1,3-6H2,2H3/q-1.
What are the key properties of N-methanidyl-N-methyloxan-4-amine?
N-methanidyl-N-methyloxan-4-amine has a molecular weight of 128.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanidyl-N-methyloxan-4-amine is sourced from PubChem (CID 59835792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).