3-(2-aminoethoxymethoxymethoxy)propan-1-amine

C7H18N2O3 — CID 126749187

IUPAC3-(2-aminoethoxymethoxymethoxy)propan-1-amine
SMILESNCCCOCOCOCCN
InChIInChI=1S/C7H18N2O3/c8-2-1-4-10-6-12-7-11-5-3-9/h1-9H2
InChIKeyVNFKZYINMZVMSQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.74
Rot. Bonds9

About 3-(2-aminoethoxymethoxymethoxy)propan-1-amine

3-(2-aminoethoxymethoxymethoxy)propan-1-amine (PubChem CID 126749187) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(2-aminoethoxymethoxymethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2-aminoethoxymethoxymethoxy)propan-1-amine
PubChem CID126749187
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name3-(2-aminoethoxymethoxymethoxy)propan-1-amine
SMILESNCCCOCOCOCCN
InChIInChI=1S/C7H18N2O3/c8-2-1-4-10-6-12-7-11-5-3-9/h1-9H2
InChIKeyVNFKZYINMZVMSQ-UHFFFAOYSA-N
XLogP-0.74
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxymethoxymethoxy)propan-1-amine?
The IUPAC name of 3-(2-aminoethoxymethoxymethoxy)propan-1-amine (CID 126749187) is 3-(2-aminoethoxymethoxymethoxy)propan-1-amine.
What is the SMILES notation for 3-(2-aminoethoxymethoxymethoxy)propan-1-amine?
The canonical SMILES for 3-(2-aminoethoxymethoxymethoxy)propan-1-amine is NCCCOCOCOCCN.
What is the InChIKey of 3-(2-aminoethoxymethoxymethoxy)propan-1-amine?
The InChIKey is VNFKZYINMZVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3/c8-2-1-4-10-6-12-7-11-5-3-9/h1-9H2.
What are the key properties of 3-(2-aminoethoxymethoxymethoxy)propan-1-amine?
3-(2-aminoethoxymethoxymethoxy)propan-1-amine has a molecular weight of 178.23 g/mol, XLogP of -0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxymethoxymethoxy)propan-1-amine is sourced from PubChem (CID 126749187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).