2-[cyclopentyl(octyl)amino]ethanol

C15H31NO — CID 62015443

IUPAC2-[cyclopentyl(octyl)amino]ethanol
SMILESCCCCCCCCN(CCO)C1CCCC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-9-12-16(13-14-17)15-10-7-8-11-15/h15,17H,2-14H2,1H3
InChIKeyMXKCWPZCUHGIKR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.58
Rot. Bonds10

About 2-[cyclopentyl(octyl)amino]ethanol

2-[cyclopentyl(octyl)amino]ethanol (PubChem CID 62015443) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[cyclopentyl(octyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl(octyl)amino]ethanol
PubChem CID62015443
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[cyclopentyl(octyl)amino]ethanol
SMILESCCCCCCCCN(CCO)C1CCCC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-9-12-16(13-14-17)15-10-7-8-11-15/h15,17H,2-14H2,1H3
InChIKeyMXKCWPZCUHGIKR-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
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 2-[cyclopentyl(octyl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl(octyl)amino]ethanol (CID 62015443) is 2-[cyclopentyl(octyl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl(octyl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl(octyl)amino]ethanol is CCCCCCCCN(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(octyl)amino]ethanol?
The InChIKey is MXKCWPZCUHGIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-6-9-12-16(13-14-17)15-10-7-8-11-15/h15,17H,2-14H2,1H3.
What are the key properties of 2-[cyclopentyl(octyl)amino]ethanol?
2-[cyclopentyl(octyl)amino]ethanol has a molecular weight of 241.42 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(octyl)amino]ethanol is sourced from PubChem (CID 62015443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).