2-(undec-10-enylamino)ethanol

C13H27NO — CID 11310411

IUPAC2-(undec-10-enylamino)ethanol
SMILESC=CCCCCCCCCCNCCO
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15/h2,14-15H,1,3-13H2
InChIKeyMXGHXMOCKZFCOG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.88
Rot. Bonds12

About 2-(undec-10-enylamino)ethanol

2-(undec-10-enylamino)ethanol (PubChem CID 11310411) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(undec-10-enylamino)ethanol.

Molecular Properties

Compound Name2-(undec-10-enylamino)ethanol
PubChem CID11310411
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(undec-10-enylamino)ethanol
SMILESC=CCCCCCCCCCNCCO
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15/h2,14-15H,1,3-13H2
InChIKeyMXGHXMOCKZFCOG-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.88
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-10-enylamino)ethanol?
The IUPAC name of 2-(undec-10-enylamino)ethanol (CID 11310411) is 2-(undec-10-enylamino)ethanol.
What is the SMILES notation for 2-(undec-10-enylamino)ethanol?
The canonical SMILES for 2-(undec-10-enylamino)ethanol is C=CCCCCCCCCCNCCO.
What is the InChIKey of 2-(undec-10-enylamino)ethanol?
The InChIKey is MXGHXMOCKZFCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15/h2,14-15H,1,3-13H2.
What are the key properties of 2-(undec-10-enylamino)ethanol?
2-(undec-10-enylamino)ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.88, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undec-10-enylamino)ethanol is sourced from PubChem (CID 11310411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).