2-[octyl(10-pentylpentadecyl)amino]ethanol

C30H63NO — CID 170755084

IUPAC2-[octyl(10-pentylpentadecyl)amino]ethanol
SMILESCCCCCCCCN(CCO)CCCCCCCCCC(CCCCC)CCCCC
InChIInChI=1S/C30H63NO/c1-4-7-10-11-16-21-26-31(28-29-32)27-22-17-14-12-13-15-20-25-30(23-18-8-5-2)24-19-9-6-3/h30,32H,4-29H2,1-3H3
InChIKeyAEIDYMUCABEZJB-UHFFFAOYSA-N
MW453.84 g/mol
LogP9.54
Rot. Bonds27

About 2-[octyl(10-pentylpentadecyl)amino]ethanol

2-[octyl(10-pentylpentadecyl)amino]ethanol (PubChem CID 170755084) has the molecular formula C30H63NO and a molecular weight of 453.84 g/mol. Its IUPAC name is 2-[octyl(10-pentylpentadecyl)amino]ethanol.

Molecular Properties

Compound Name2-[octyl(10-pentylpentadecyl)amino]ethanol
PubChem CID170755084
Molecular FormulaC30H63NO
Molecular Weight453.84 g/mol
Exact Mass453.49
IUPAC Name2-[octyl(10-pentylpentadecyl)amino]ethanol
SMILESCCCCCCCCN(CCO)CCCCCCCCCC(CCCCC)CCCCC
InChIInChI=1S/C30H63NO/c1-4-7-10-11-16-21-26-31(28-29-32)27-22-17-14-12-13-15-20-25-30(23-18-8-5-2)24-19-9-6-3/h30,32H,4-29H2,1-3H3
InChIKeyAEIDYMUCABEZJB-UHFFFAOYSA-N
XLogP9.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.84
LogP ≤ 59.54
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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Related Compounds

2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
CID 166893886
formic acid;methanol;2-[8-octylhexadecyl(tetradecyl)amino]ethanol
CID 170755330
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide
CID 170755316
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
CID 166791794

Frequently Asked Questions

What is the IUPAC name of 2-[octyl(10-pentylpentadecyl)amino]ethanol?
The IUPAC name of 2-[octyl(10-pentylpentadecyl)amino]ethanol (CID 170755084) is 2-[octyl(10-pentylpentadecyl)amino]ethanol.
What is the SMILES notation for 2-[octyl(10-pentylpentadecyl)amino]ethanol?
The canonical SMILES for 2-[octyl(10-pentylpentadecyl)amino]ethanol is CCCCCCCCN(CCO)CCCCCCCCCC(CCCCC)CCCCC.
What is the InChIKey of 2-[octyl(10-pentylpentadecyl)amino]ethanol?
The InChIKey is AEIDYMUCABEZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63NO/c1-4-7-10-11-16-21-26-31(28-29-32)27-22-17-14-12-13-15-20-25-30(23-18-8-5-2)24-19-9-6-3/h30,32H,4-29H2,1-3H3.
What are the key properties of 2-[octyl(10-pentylpentadecyl)amino]ethanol?
2-[octyl(10-pentylpentadecyl)amino]ethanol has a molecular weight of 453.84 g/mol, XLogP of 9.54, 27 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[octyl(10-pentylpentadecyl)amino]ethanol is sourced from PubChem (CID 170755084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).