[4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol

C13H28N3O4P — CID 142046459

IUPAC[4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CNCC(CCP(N)(=O)N2CC(C)OC(CO)C2)O1
InChIInChI=1S/C13H28N3O4P/c1-10-5-15-6-12(19-10)3-4-21(14,18)16-7-11(2)20-13(8-16)9-17/h10-13,15,17H,3-9H2,1-2H3,(H2,14,18)
InChIKeySATZGEZCRLLEAV-UHFFFAOYSA-N
MW321.36 g/mol
LogP-0.01
Rot. Bonds5

About [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol

[4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol (PubChem CID 142046459) has the molecular formula C13H28N3O4P and a molecular weight of 321.36 g/mol. Its IUPAC name is [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol
PubChem CID142046459
Molecular FormulaC13H28N3O4P
Molecular Weight321.36 g/mol
Exact Mass321.18
IUPAC Name[4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CNCC(CCP(N)(=O)N2CC(C)OC(CO)C2)O1
InChIInChI=1S/C13H28N3O4P/c1-10-5-15-6-12(19-10)3-4-21(14,18)16-7-11(2)20-13(8-16)9-17/h10-13,15,17H,3-9H2,1-2H3,(H2,14,18)
InChIKeySATZGEZCRLLEAV-UHFFFAOYSA-N
XLogP-0.01
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol (CID 142046459) is [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol is CC1CNCC(CCP(N)(=O)N2CC(C)OC(CO)C2)O1.
What is the InChIKey of [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is SATZGEZCRLLEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N3O4P/c1-10-5-15-6-12(19-10)3-4-21(14,18)16-7-11(2)20-13(8-16)9-17/h10-13,15,17H,3-9H2,1-2H3,(H2,14,18).
What are the key properties of [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol?
[4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 321.36 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[amino-[2-(6-methylmorpholin-2-yl)ethyl]phosphoryl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 142046459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).