2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine

C13H30N2O2 — CID 174358617

IUPAC2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOCCNC(C)COC(C)(C)CNC(C)C
InChIInChI=1S/C13H30N2O2/c1-11(2)15-10-13(4,5)17-9-12(3)14-7-8-16-6/h11-12,14-15H,7-10H2,1-6H3
InChIKeyPFBWRXCBWXKGOG-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.40
Rot. Bonds10

About 2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine

2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 174358617) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID174358617
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOCCNC(C)COC(C)(C)CNC(C)C
InChIInChI=1S/C13H30N2O2/c1-11(2)15-10-13(4,5)17-9-12(3)14-7-8-16-6/h11-12,14-15H,7-10H2,1-6H3
InChIKeyPFBWRXCBWXKGOG-UHFFFAOYSA-N
XLogP1.40
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.40
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-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine (CID 174358617) is 2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine is COCCNC(C)COC(C)(C)CNC(C)C.
What is the InChIKey of 2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is PFBWRXCBWXKGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-11(2)15-10-13(4,5)17-9-12(3)14-7-8-16-6/h11-12,14-15H,7-10H2,1-6H3.
What are the key properties of 2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine?
2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 246.39 g/mol, XLogP of 1.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)propoxy]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 174358617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).