1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol

C15H32N2O4 — CID 126627764

IUPAC1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol
SMILESCCC(O)COCCN(C)CCOCC1COCCN1C
InChIInChI=1S/C15H32N2O4/c1-4-15(18)13-21-9-6-16(2)5-8-19-11-14-12-20-10-7-17(14)3/h14-15,18H,4-13H2,1-3H3
InChIKeyBPGTZQCQPFYYIR-UHFFFAOYSA-N
MW304.43 g/mol
LogP0.05
Rot. Bonds11

About 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol

1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol (PubChem CID 126627764) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol
PubChem CID126627764
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol
SMILESCCC(O)COCCN(C)CCOCC1COCCN1C
InChIInChI=1S/C15H32N2O4/c1-4-15(18)13-21-9-6-16(2)5-8-19-11-14-12-20-10-7-17(14)3/h14-15,18H,4-13H2,1-3H3
InChIKeyBPGTZQCQPFYYIR-UHFFFAOYSA-N
XLogP0.05
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol?
The IUPAC name of 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol (CID 126627764) is 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol.
What is the SMILES notation for 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol?
The canonical SMILES for 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol is CCC(O)COCCN(C)CCOCC1COCCN1C.
What is the InChIKey of 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol?
The InChIKey is BPGTZQCQPFYYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-4-15(18)13-21-9-6-16(2)5-8-19-11-14-12-20-10-7-17(14)3/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol?
1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol has a molecular weight of 304.43 g/mol, XLogP of 0.05, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol is sourced from PubChem (CID 126627764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).