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

C9H22N2O2 — CID 14122882

IUPAC2-[2-(2-aminopropoxy)propoxy]propan-1-amine
SMILESCC(N)COC(C)COC(C)CN
InChIInChI=1S/C9H22N2O2/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-9H,4-6,10-11H2,1-3H3
InChIKeyIAUMQQYSPOLIEE-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.10
Rot. Bonds7

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

2-[2-(2-aminopropoxy)propoxy]propan-1-amine (PubChem CID 14122882) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[2-(2-aminopropoxy)propoxy]propan-1-amine.

Molecular Properties

Compound Name2-[2-(2-aminopropoxy)propoxy]propan-1-amine
PubChem CID14122882
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2-[2-(2-aminopropoxy)propoxy]propan-1-amine
SMILESCC(N)COC(C)COC(C)CN
InChIInChI=1S/C9H22N2O2/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-9H,4-6,10-11H2,1-3H3
InChIKeyIAUMQQYSPOLIEE-UHFFFAOYSA-N
XLogP0.10
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropoxy)propoxy]propan-1-amine?
The IUPAC name of 2-[2-(2-aminopropoxy)propoxy]propan-1-amine (CID 14122882) is 2-[2-(2-aminopropoxy)propoxy]propan-1-amine.
What is the SMILES notation for 2-[2-(2-aminopropoxy)propoxy]propan-1-amine?
The canonical SMILES for 2-[2-(2-aminopropoxy)propoxy]propan-1-amine is CC(N)COC(C)COC(C)CN.
What is the InChIKey of 2-[2-(2-aminopropoxy)propoxy]propan-1-amine?
The InChIKey is IAUMQQYSPOLIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of 2-[2-(2-aminopropoxy)propoxy]propan-1-amine?
2-[2-(2-aminopropoxy)propoxy]propan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropoxy)propoxy]propan-1-amine is sourced from PubChem (CID 14122882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).