2-(oct-7-enylamino)ethanol

C10H21NO — CID 10866785

IUPAC2-(oct-7-enylamino)ethanol
SMILESC=CCCCCCCNCCO
InChIInChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-11-9-10-12/h2,11-12H,1,3-10H2
InChIKeyYTSUYTBUABGVPW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds9

About 2-(oct-7-enylamino)ethanol

2-(oct-7-enylamino)ethanol (PubChem CID 10866785) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(oct-7-enylamino)ethanol.

Molecular Properties

Compound Name2-(oct-7-enylamino)ethanol
PubChem CID10866785
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(oct-7-enylamino)ethanol
SMILESC=CCCCCCCNCCO
InChIInChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-11-9-10-12/h2,11-12H,1,3-10H2
InChIKeyYTSUYTBUABGVPW-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
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-(oct-7-enylamino)ethanol?
The IUPAC name of 2-(oct-7-enylamino)ethanol (CID 10866785) is 2-(oct-7-enylamino)ethanol.
What is the SMILES notation for 2-(oct-7-enylamino)ethanol?
The canonical SMILES for 2-(oct-7-enylamino)ethanol is C=CCCCCCCNCCO.
What is the InChIKey of 2-(oct-7-enylamino)ethanol?
The InChIKey is YTSUYTBUABGVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-11-9-10-12/h2,11-12H,1,3-10H2.
What are the key properties of 2-(oct-7-enylamino)ethanol?
2-(oct-7-enylamino)ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oct-7-enylamino)ethanol is sourced from PubChem (CID 10866785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).