1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine

C22H47NO4 — CID 121247098

IUPAC1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine
SMILESCCCCC(CC)(COCC(C)OCC(C)C)COCC(C)OCC(C)N
InChIInChI=1S/C22H47NO4/c1-8-10-11-22(9-2,16-24-14-20(6)26-12-18(3)4)17-25-15-21(7)27-13-19(5)23/h18-21H,8-17,23H2,1-7H3
InChIKeyYCCILOLQQHVSFF-UHFFFAOYSA-N
MW389.62 g/mol
LogP4.42
Rot. Bonds18

About 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine

1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine (PubChem CID 121247098) has the molecular formula C22H47NO4 and a molecular weight of 389.62 g/mol. Its IUPAC name is 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine
PubChem CID121247098
Molecular FormulaC22H47NO4
Molecular Weight389.62 g/mol
Exact Mass389.35
IUPAC Name1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine
SMILESCCCCC(CC)(COCC(C)OCC(C)C)COCC(C)OCC(C)N
InChIInChI=1S/C22H47NO4/c1-8-10-11-22(9-2,16-24-14-20(6)26-12-18(3)4)17-25-15-21(7)27-13-19(5)23/h18-21H,8-17,23H2,1-7H3
InChIKeyYCCILOLQQHVSFF-UHFFFAOYSA-N
XLogP4.42
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine?
The IUPAC name of 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine (CID 121247098) is 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine.
What is the SMILES notation for 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine?
The canonical SMILES for 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine is CCCCC(CC)(COCC(C)OCC(C)C)COCC(C)OCC(C)N.
What is the InChIKey of 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine?
The InChIKey is YCCILOLQQHVSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO4/c1-8-10-11-22(9-2,16-24-14-20(6)26-12-18(3)4)17-25-15-21(7)27-13-19(5)23/h18-21H,8-17,23H2,1-7H3.
What are the key properties of 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine?
1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine has a molecular weight of 389.62 g/mol, XLogP of 4.42, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine is sourced from PubChem (CID 121247098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).