2-(undec-1-en-6-ylamino)ethanol

C13H27NO — CID 24812845

IUPAC2-(undec-1-en-6-ylamino)ethanol
SMILESC=CCCCC(CCCCC)NCCO
InChIInChI=1S/C13H27NO/c1-3-5-7-9-13(14-11-12-15)10-8-6-4-2/h3,13-15H,1,4-12H2,2H3
InChIKeyPIZQFFBSZNURIP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.87
Rot. Bonds11

About 2-(undec-1-en-6-ylamino)ethanol

2-(undec-1-en-6-ylamino)ethanol (PubChem CID 24812845) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(undec-1-en-6-ylamino)ethanol.

Molecular Properties

Compound Name2-(undec-1-en-6-ylamino)ethanol
PubChem CID24812845
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(undec-1-en-6-ylamino)ethanol
SMILESC=CCCCC(CCCCC)NCCO
InChIInChI=1S/C13H27NO/c1-3-5-7-9-13(14-11-12-15)10-8-6-4-2/h3,13-15H,1,4-12H2,2H3
InChIKeyPIZQFFBSZNURIP-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(undec-1-en-6-ylamino)ethanol?
The IUPAC name of 2-(undec-1-en-6-ylamino)ethanol (CID 24812845) is 2-(undec-1-en-6-ylamino)ethanol.
What is the SMILES notation for 2-(undec-1-en-6-ylamino)ethanol?
The canonical SMILES for 2-(undec-1-en-6-ylamino)ethanol is C=CCCCC(CCCCC)NCCO.
What is the InChIKey of 2-(undec-1-en-6-ylamino)ethanol?
The InChIKey is PIZQFFBSZNURIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-7-9-13(14-11-12-15)10-8-6-4-2/h3,13-15H,1,4-12H2,2H3.
What are the key properties of 2-(undec-1-en-6-ylamino)ethanol?
2-(undec-1-en-6-ylamino)ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undec-1-en-6-ylamino)ethanol is sourced from PubChem (CID 24812845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).