2-octadecoxyethanol;propan-1-amine

C23H51NO2 — CID 174446488

IUPAC2-octadecoxyethanol;propan-1-amine
SMILESCCCCCCCCCCCCCCCCCCOCCO.CCCN
InChIInChI=1S/C20H42O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21;1-2-3-4/h21H,2-20H2,1H3;2-4H2,1H3
InChIKeyXFWRRRLRZJXYCU-UHFFFAOYSA-N
MW373.67 g/mol
LogP6.61
Rot. Bonds20

About 2-octadecoxyethanol;propan-1-amine

2-octadecoxyethanol;propan-1-amine (PubChem CID 174446488) has the molecular formula C23H51NO2 and a molecular weight of 373.67 g/mol. Its IUPAC name is 2-octadecoxyethanol;propan-1-amine.

Molecular Properties

Compound Name2-octadecoxyethanol;propan-1-amine
PubChem CID174446488
Molecular FormulaC23H51NO2
Molecular Weight373.67 g/mol
Exact Mass373.39
IUPAC Name2-octadecoxyethanol;propan-1-amine
SMILESCCCCCCCCCCCCCCCCCCOCCO.CCCN
InChIInChI=1S/C20H42O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21;1-2-3-4/h21H,2-20H2,1H3;2-4H2,1H3
InChIKeyXFWRRRLRZJXYCU-UHFFFAOYSA-N
XLogP6.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 56.61
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

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CID 24750
2-tetradecoxyethanol
CID 16491
2-heptoxyethanol
CID 23889
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
ethane-1,2-diol;2-octoxyethanol
CID 87517178
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729

Frequently Asked Questions

What is the IUPAC name of 2-octadecoxyethanol;propan-1-amine?
The IUPAC name of 2-octadecoxyethanol;propan-1-amine (CID 174446488) is 2-octadecoxyethanol;propan-1-amine.
What is the SMILES notation for 2-octadecoxyethanol;propan-1-amine?
The canonical SMILES for 2-octadecoxyethanol;propan-1-amine is CCCCCCCCCCCCCCCCCCOCCO.CCCN.
What is the InChIKey of 2-octadecoxyethanol;propan-1-amine?
The InChIKey is XFWRRRLRZJXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21;1-2-3-4/h21H,2-20H2,1H3;2-4H2,1H3.
What are the key properties of 2-octadecoxyethanol;propan-1-amine?
2-octadecoxyethanol;propan-1-amine has a molecular weight of 373.67 g/mol, XLogP of 6.61, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecoxyethanol;propan-1-amine is sourced from PubChem (CID 174446488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).