amino-methoxy-bis(methylamino)azanium

C3H13N4O+ — CID 163519345

IUPACamino-methoxy-bis(methylamino)azanium
SMILESCN[N+](N)(NC)OC
InChIInChI=1S/C3H13N4O/c1-5-7(4,6-2)8-3/h5-6H,4H2,1-3H3/q+1
InChIKeyVXQZCFHYIQGRAX-UHFFFAOYSA-N
MW121.16 g/mol
LogP-1.49
Rot. Bonds3

About amino-methoxy-bis(methylamino)azanium

amino-methoxy-bis(methylamino)azanium (PubChem CID 163519345) has the molecular formula C3H13N4O+ and a molecular weight of 121.16 g/mol. Its IUPAC name is amino-methoxy-bis(methylamino)azanium.

Molecular Properties

Compound Nameamino-methoxy-bis(methylamino)azanium
PubChem CID163519345
Molecular FormulaC3H13N4O+
Molecular Weight121.16 g/mol
Exact Mass121.11
IUPAC Nameamino-methoxy-bis(methylamino)azanium
SMILESCN[N+](N)(NC)OC
InChIInChI=1S/C3H13N4O/c1-5-7(4,6-2)8-3/h5-6H,4H2,1-3H3/q+1
InChIKeyVXQZCFHYIQGRAX-UHFFFAOYSA-N
XLogP-1.49
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-methoxy-bis(methylamino)azanium?
The IUPAC name of amino-methoxy-bis(methylamino)azanium (CID 163519345) is amino-methoxy-bis(methylamino)azanium.
What is the SMILES notation for amino-methoxy-bis(methylamino)azanium?
The canonical SMILES for amino-methoxy-bis(methylamino)azanium is CN[N+](N)(NC)OC.
What is the InChIKey of amino-methoxy-bis(methylamino)azanium?
The InChIKey is VXQZCFHYIQGRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H13N4O/c1-5-7(4,6-2)8-3/h5-6H,4H2,1-3H3/q+1.
What are the key properties of amino-methoxy-bis(methylamino)azanium?
amino-methoxy-bis(methylamino)azanium has a molecular weight of 121.16 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-methoxy-bis(methylamino)azanium is sourced from PubChem (CID 163519345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).