3-ethyl-11-(methylamino)undecan-1-ol

C14H31NO — CID 23594100

IUPAC3-ethyl-11-(methylamino)undecan-1-ol
SMILESCCC(CCO)CCCCCCCCNC
InChIInChI=1S/C14H31NO/c1-3-14(11-13-16)10-8-6-4-5-7-9-12-15-2/h14-16H,3-13H2,1-2H3
InChIKeyLILFAOOXUMIWGV-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.35
Rot. Bonds12

About 3-ethyl-11-(methylamino)undecan-1-ol

3-ethyl-11-(methylamino)undecan-1-ol (PubChem CID 23594100) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-ethyl-11-(methylamino)undecan-1-ol.

Molecular Properties

Compound Name3-ethyl-11-(methylamino)undecan-1-ol
PubChem CID23594100
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-ethyl-11-(methylamino)undecan-1-ol
SMILESCCC(CCO)CCCCCCCCNC
InChIInChI=1S/C14H31NO/c1-3-14(11-13-16)10-8-6-4-5-7-9-12-15-2/h14-16H,3-13H2,1-2H3
InChIKeyLILFAOOXUMIWGV-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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 3-ethyl-11-(methylamino)undecan-1-ol?
The IUPAC name of 3-ethyl-11-(methylamino)undecan-1-ol (CID 23594100) is 3-ethyl-11-(methylamino)undecan-1-ol.
What is the SMILES notation for 3-ethyl-11-(methylamino)undecan-1-ol?
The canonical SMILES for 3-ethyl-11-(methylamino)undecan-1-ol is CCC(CCO)CCCCCCCCNC.
What is the InChIKey of 3-ethyl-11-(methylamino)undecan-1-ol?
The InChIKey is LILFAOOXUMIWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-3-14(11-13-16)10-8-6-4-5-7-9-12-15-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 3-ethyl-11-(methylamino)undecan-1-ol?
3-ethyl-11-(methylamino)undecan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.35, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-11-(methylamino)undecan-1-ol is sourced from PubChem (CID 23594100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).