3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine

C11H26N2O3 — CID 118897120

IUPAC3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
SMILESNCCCOCCCOCCOCCCN
InChIInChI=1S/C11H26N2O3/c12-4-1-6-14-8-3-9-16-11-10-15-7-2-5-13/h1-13H2
InChIKeyMEVRQNKNKZAPRA-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.12
Rot. Bonds13

About 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine

3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine (PubChem CID 118897120) has the molecular formula C11H26N2O3 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
PubChem CID118897120
Molecular FormulaC11H26N2O3
Molecular Weight234.34 g/mol
Exact Mass234.19
IUPAC Name3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
SMILESNCCCOCCCOCCOCCCN
InChIInChI=1S/C11H26N2O3/c12-4-1-6-14-8-3-9-16-11-10-15-7-2-5-13/h1-13H2
InChIKeyMEVRQNKNKZAPRA-UHFFFAOYSA-N
XLogP0.12
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
CID 58517376
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
3-(2-chloroethoxy)propan-1-amine
CID 106306176
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine?
The IUPAC name of 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine (CID 118897120) is 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine.
What is the SMILES notation for 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine?
The canonical SMILES for 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine is NCCCOCCCOCCOCCCN.
What is the InChIKey of 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine?
The InChIKey is MEVRQNKNKZAPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3/c12-4-1-6-14-8-3-9-16-11-10-15-7-2-5-13/h1-13H2.
What are the key properties of 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine?
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 0.12, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine is sourced from PubChem (CID 118897120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).