2-(2-hexyldecylamino)ethanol

C18H39NO — CID 22068862

IUPAC2-(2-hexyldecylamino)ethanol
SMILESCCCCCCCCC(CCCCCC)CNCCO
InChIInChI=1S/C18H39NO/c1-3-5-7-9-10-12-14-18(17-19-15-16-20)13-11-8-6-4-2/h18-20H,3-17H2,1-2H3
InChIKeyPBCAEHYCBRKUGR-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.91
Rot. Bonds16

About 2-(2-hexyldecylamino)ethanol

2-(2-hexyldecylamino)ethanol (PubChem CID 22068862) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 2-(2-hexyldecylamino)ethanol.

Molecular Properties

Compound Name2-(2-hexyldecylamino)ethanol
PubChem CID22068862
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name2-(2-hexyldecylamino)ethanol
SMILESCCCCCCCCC(CCCCCC)CNCCO
InChIInChI=1S/C18H39NO/c1-3-5-7-9-10-12-14-18(17-19-15-16-20)13-11-8-6-4-2/h18-20H,3-17H2,1-2H3
InChIKeyPBCAEHYCBRKUGR-UHFFFAOYSA-N
XLogP4.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hexyldecylamino)ethanol?
The IUPAC name of 2-(2-hexyldecylamino)ethanol (CID 22068862) is 2-(2-hexyldecylamino)ethanol.
What is the SMILES notation for 2-(2-hexyldecylamino)ethanol?
The canonical SMILES for 2-(2-hexyldecylamino)ethanol is CCCCCCCCC(CCCCCC)CNCCO.
What is the InChIKey of 2-(2-hexyldecylamino)ethanol?
The InChIKey is PBCAEHYCBRKUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-3-5-7-9-10-12-14-18(17-19-15-16-20)13-11-8-6-4-2/h18-20H,3-17H2,1-2H3.
What are the key properties of 2-(2-hexyldecylamino)ethanol?
2-(2-hexyldecylamino)ethanol has a molecular weight of 285.52 g/mol, XLogP of 4.91, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexyldecylamino)ethanol is sourced from PubChem (CID 22068862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).