4-[2-(3-aminopropoxy)ethoxy]butan-1-ol

C9H21NO3 — CID 58517376

IUPAC4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
SMILESNCCCOCCOCCCCO
InChIInChI=1S/C9H21NO3/c10-4-3-7-13-9-8-12-6-2-1-5-11/h11H,1-10H2
InChIKeyHEZRKNBQDXPJHC-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.14
Rot. Bonds10

About 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol

4-[2-(3-aminopropoxy)ethoxy]butan-1-ol (PubChem CID 58517376) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
PubChem CID58517376
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
SMILESNCCCOCCOCCCCO
InChIInChI=1S/C9H21NO3/c10-4-3-7-13-9-8-12-6-2-1-5-11/h11H,1-10H2
InChIKeyHEZRKNBQDXPJHC-UHFFFAOYSA-N
XLogP0.14
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.14
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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Related Compounds

2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
4-(3-aminopropoxy)butan-1-ol;3-aminopropyl 2-aminopropanoate
CID 90107808
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
2-[2-[3-[2-(2-aminoethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 142386297

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol?
The IUPAC name of 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol (CID 58517376) is 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol.
What is the SMILES notation for 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol?
The canonical SMILES for 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol is NCCCOCCOCCCCO.
What is the InChIKey of 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol?
The InChIKey is HEZRKNBQDXPJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c10-4-3-7-13-9-8-12-6-2-1-5-11/h11H,1-10H2.
What are the key properties of 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol?
4-[2-(3-aminopropoxy)ethoxy]butan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 0.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminopropoxy)ethoxy]butan-1-ol is sourced from PubChem (CID 58517376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).