4-[2-(propylamino)ethoxy]butan-1-ol

C9H21NO2 — CID 106937948

IUPAC4-[2-(propylamino)ethoxy]butan-1-ol
SMILESCCCNCCOCCCCO
InChIInChI=1S/C9H21NO2/c1-2-5-10-6-9-12-8-4-3-7-11/h10-11H,2-9H2,1H3
InChIKeyBNGNLXFFUSHWEM-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.78
Rot. Bonds9

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

4-[2-(propylamino)ethoxy]butan-1-ol (PubChem CID 106937948) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-[2-(propylamino)ethoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2-(propylamino)ethoxy]butan-1-ol
PubChem CID106937948
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name4-[2-(propylamino)ethoxy]butan-1-ol
SMILESCCCNCCOCCCCO
InChIInChI=1S/C9H21NO2/c1-2-5-10-6-9-12-8-4-3-7-11/h10-11H,2-9H2,1H3
InChIKeyBNGNLXFFUSHWEM-UHFFFAOYSA-N
XLogP0.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
propane-1,3-diol;N-propylpropan-1-amine
CID 87073043
3-pentoxy-N-propylpropan-1-amine
CID 62451352
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
2-[2-(4-methoxybutoxy)ethylamino]ethanol
CID 150215705
5-octoxypentan-1-ol
CID 22407981

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propylamino)ethoxy]butan-1-ol?
The IUPAC name of 4-[2-(propylamino)ethoxy]butan-1-ol (CID 106937948) is 4-[2-(propylamino)ethoxy]butan-1-ol.
What is the SMILES notation for 4-[2-(propylamino)ethoxy]butan-1-ol?
The canonical SMILES for 4-[2-(propylamino)ethoxy]butan-1-ol is CCCNCCOCCCCO.
What is the InChIKey of 4-[2-(propylamino)ethoxy]butan-1-ol?
The InChIKey is BNGNLXFFUSHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-2-5-10-6-9-12-8-4-3-7-11/h10-11H,2-9H2,1H3.
What are the key properties of 4-[2-(propylamino)ethoxy]butan-1-ol?
4-[2-(propylamino)ethoxy]butan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propylamino)ethoxy]butan-1-ol is sourced from PubChem (CID 106937948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).