2-N'-methyl-1,3-oxazinane-2,2,3-triamine

C5H14N4O — CID 138527517

IUPAC2-N'-methyl-1,3-oxazinane-2,2,3-triamine
SMILESCNC1(N)OCCCN1N
InChIInChI=1S/C5H14N4O/c1-8-5(6)9(7)3-2-4-10-5/h8H,2-4,6-7H2,1H3
InChIKeyZKCATXFGMBRUMW-UHFFFAOYSA-N
MW146.19 g/mol
LogP-1.63
Rot. Bonds1

About 2-N'-methyl-1,3-oxazinane-2,2,3-triamine

2-N'-methyl-1,3-oxazinane-2,2,3-triamine (PubChem CID 138527517) has the molecular formula C5H14N4O and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-N'-methyl-1,3-oxazinane-2,2,3-triamine.

Molecular Properties

Compound Name2-N'-methyl-1,3-oxazinane-2,2,3-triamine
PubChem CID138527517
Molecular FormulaC5H14N4O
Molecular Weight146.19 g/mol
Exact Mass146.12
IUPAC Name2-N'-methyl-1,3-oxazinane-2,2,3-triamine
SMILESCNC1(N)OCCCN1N
InChIInChI=1S/C5H14N4O/c1-8-5(6)9(7)3-2-4-10-5/h8H,2-4,6-7H2,1H3
InChIKeyZKCATXFGMBRUMW-UHFFFAOYSA-N
XLogP-1.63
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-methyl-1,3-oxazinane-2,2,3-triamine?
The IUPAC name of 2-N'-methyl-1,3-oxazinane-2,2,3-triamine (CID 138527517) is 2-N'-methyl-1,3-oxazinane-2,2,3-triamine.
What is the SMILES notation for 2-N'-methyl-1,3-oxazinane-2,2,3-triamine?
The canonical SMILES for 2-N'-methyl-1,3-oxazinane-2,2,3-triamine is CNC1(N)OCCCN1N.
What is the InChIKey of 2-N'-methyl-1,3-oxazinane-2,2,3-triamine?
The InChIKey is ZKCATXFGMBRUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O/c1-8-5(6)9(7)3-2-4-10-5/h8H,2-4,6-7H2,1H3.
What are the key properties of 2-N'-methyl-1,3-oxazinane-2,2,3-triamine?
2-N'-methyl-1,3-oxazinane-2,2,3-triamine has a molecular weight of 146.19 g/mol, XLogP of -1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-methyl-1,3-oxazinane-2,2,3-triamine is sourced from PubChem (CID 138527517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).