1-(dodecylamino)ethanol

C14H31NO — CID 22741586

IUPAC1-(dodecylamino)ethanol
SMILESCCCCCCCCCCCCNC(C)O
InChIInChI=1S/C14H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-15-14(2)16/h14-16H,3-13H2,1-2H3
InChIKeyPAAGJSAGVSRUIX-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.84
Rot. Bonds12

About 1-(dodecylamino)ethanol

1-(dodecylamino)ethanol (PubChem CID 22741586) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-(dodecylamino)ethanol.

Molecular Properties

Compound Name1-(dodecylamino)ethanol
PubChem CID22741586
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-(dodecylamino)ethanol
SMILESCCCCCCCCCCCCNC(C)O
InChIInChI=1S/C14H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-15-14(2)16/h14-16H,3-13H2,1-2H3
InChIKeyPAAGJSAGVSRUIX-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dodecylamino)ethanol?
The IUPAC name of 1-(dodecylamino)ethanol (CID 22741586) is 1-(dodecylamino)ethanol.
What is the SMILES notation for 1-(dodecylamino)ethanol?
The canonical SMILES for 1-(dodecylamino)ethanol is CCCCCCCCCCCCNC(C)O.
What is the InChIKey of 1-(dodecylamino)ethanol?
The InChIKey is PAAGJSAGVSRUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-15-14(2)16/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-(dodecylamino)ethanol?
1-(dodecylamino)ethanol has a molecular weight of 229.41 g/mol, XLogP of 3.84, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dodecylamino)ethanol is sourced from PubChem (CID 22741586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).