2,6-diamino-1-morpholin-4-ylhexan-1-one

C10H21N3O2 — CID 118710762

IUPAC2,6-diamino-1-morpholin-4-ylhexan-1-one
SMILESNCCCCC(N)C(=O)N1CCOCC1
InChIInChI=1S/C10H21N3O2/c11-4-2-1-3-9(12)10(14)13-5-7-15-8-6-13/h9H,1-8,11-12H2
InChIKeyRYRHOQJATIUDAT-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.70
Rot. Bonds5

About 2,6-diamino-1-morpholin-4-ylhexan-1-one

2,6-diamino-1-morpholin-4-ylhexan-1-one (PubChem CID 118710762) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,6-diamino-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name2,6-diamino-1-morpholin-4-ylhexan-1-one
PubChem CID118710762
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2,6-diamino-1-morpholin-4-ylhexan-1-one
SMILESNCCCCC(N)C(=O)N1CCOCC1
InChIInChI=1S/C10H21N3O2/c11-4-2-1-3-9(12)10(14)13-5-7-15-8-6-13/h9H,1-8,11-12H2
InChIKeyRYRHOQJATIUDAT-UHFFFAOYSA-N
XLogP-0.70
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 2,6-diamino-1-morpholin-4-ylhexan-1-one (CID 118710762) is 2,6-diamino-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 2,6-diamino-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 2,6-diamino-1-morpholin-4-ylhexan-1-one is NCCCCC(N)C(=O)N1CCOCC1.
What is the InChIKey of 2,6-diamino-1-morpholin-4-ylhexan-1-one?
The InChIKey is RYRHOQJATIUDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-4-2-1-3-9(12)10(14)13-5-7-15-8-6-13/h9H,1-8,11-12H2.
What are the key properties of 2,6-diamino-1-morpholin-4-ylhexan-1-one?
2,6-diamino-1-morpholin-4-ylhexan-1-one has a molecular weight of 215.30 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 118710762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).