N-[(benzylamino)-methylamino]oxymethanamine

C9H15N3O — CID 59912481

IUPACN-[(benzylamino)-methylamino]oxymethanamine
SMILESCNON(C)NCc1ccccc1
InChIInChI=1S/C9H15N3O/c1-10-13-12(2)11-8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
InChIKeyKZUWBBUSFNWJLM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.69
Rot. Bonds5

About N-[(benzylamino)-methylamino]oxymethanamine

N-[(benzylamino)-methylamino]oxymethanamine (PubChem CID 59912481) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(benzylamino)-methylamino]oxymethanamine.

Molecular Properties

Compound NameN-[(benzylamino)-methylamino]oxymethanamine
PubChem CID59912481
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(benzylamino)-methylamino]oxymethanamine
SMILESCNON(C)NCc1ccccc1
InChIInChI=1S/C9H15N3O/c1-10-13-12(2)11-8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
InChIKeyKZUWBBUSFNWJLM-UHFFFAOYSA-N
XLogP0.69
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(benzylamino)-methylamino]oxymethanamine?
The IUPAC name of N-[(benzylamino)-methylamino]oxymethanamine (CID 59912481) is N-[(benzylamino)-methylamino]oxymethanamine.
What is the SMILES notation for N-[(benzylamino)-methylamino]oxymethanamine?
The canonical SMILES for N-[(benzylamino)-methylamino]oxymethanamine is CNON(C)NCc1ccccc1.
What is the InChIKey of N-[(benzylamino)-methylamino]oxymethanamine?
The InChIKey is KZUWBBUSFNWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-13-12(2)11-8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3.
What are the key properties of N-[(benzylamino)-methylamino]oxymethanamine?
N-[(benzylamino)-methylamino]oxymethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(benzylamino)-methylamino]oxymethanamine is sourced from PubChem (CID 59912481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).