morpholin-4-ylmethanediamine

C5H13N3O — CID 67677613

IUPACmorpholin-4-ylmethanediamine
SMILESNC(N)N1CCOCC1
InChIInChI=1S/C5H13N3O/c6-5(7)8-1-3-9-4-2-8/h5H,1-4,6-7H2
InChIKeyZVUQRFFWLUHVSX-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.48
Rot. Bonds1

About morpholin-4-ylmethanediamine

morpholin-4-ylmethanediamine (PubChem CID 67677613) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is morpholin-4-ylmethanediamine.

Molecular Properties

Compound Namemorpholin-4-ylmethanediamine
PubChem CID67677613
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Namemorpholin-4-ylmethanediamine
SMILESNC(N)N1CCOCC1
InChIInChI=1S/C5H13N3O/c6-5(7)8-1-3-9-4-2-8/h5H,1-4,6-7H2
InChIKeyZVUQRFFWLUHVSX-UHFFFAOYSA-N
XLogP-1.48
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-ylmethanediamine?
The IUPAC name of morpholin-4-ylmethanediamine (CID 67677613) is morpholin-4-ylmethanediamine.
What is the SMILES notation for morpholin-4-ylmethanediamine?
The canonical SMILES for morpholin-4-ylmethanediamine is NC(N)N1CCOCC1.
What is the InChIKey of morpholin-4-ylmethanediamine?
The InChIKey is ZVUQRFFWLUHVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c6-5(7)8-1-3-9-4-2-8/h5H,1-4,6-7H2.
What are the key properties of morpholin-4-ylmethanediamine?
morpholin-4-ylmethanediamine has a molecular weight of 131.18 g/mol, XLogP of -1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylmethanediamine is sourced from PubChem (CID 67677613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).