1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine

C12H28N2O3 — CID 15131492

IUPAC1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine
SMILESCC(N)COCC(C)OCC(C)OCC(C)N
InChIInChI=1S/C12H28N2O3/c1-9(13)5-15-7-11(3)17-8-12(4)16-6-10(2)14/h9-12H,5-8,13-14H2,1-4H3
InChIKeyWTFAGPBUAGFMQX-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.51
Rot. Bonds10

About 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine

1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine (PubChem CID 15131492) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine.

Molecular Properties

Compound Name1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine
PubChem CID15131492
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine
SMILESCC(N)COCC(C)OCC(C)OCC(C)N
InChIInChI=1S/C12H28N2O3/c1-9(13)5-15-7-11(3)17-8-12(4)16-6-10(2)14/h9-12H,5-8,13-14H2,1-4H3
InChIKeyWTFAGPBUAGFMQX-UHFFFAOYSA-N
XLogP0.51
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine?
The IUPAC name of 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine (CID 15131492) is 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine.
What is the SMILES notation for 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine?
The canonical SMILES for 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine is CC(N)COCC(C)OCC(C)OCC(C)N.
What is the InChIKey of 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine?
The InChIKey is WTFAGPBUAGFMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-9(13)5-15-7-11(3)17-8-12(4)16-6-10(2)14/h9-12H,5-8,13-14H2,1-4H3.
What are the key properties of 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine?
1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 0.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminopropoxy)propoxy]propoxy]propan-2-amine is sourced from PubChem (CID 15131492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).