2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine

C21H48N2O3 — CID 158613342

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
SMILESCCCCCN(CCCCC)CCCCC.OCCN(CCO)CCO
InChIInChI=1S/C15H33N.C6H15NO3/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;8-4-1-7(2-5-9)3-6-10/h4-15H2,1-3H3;8-10H,1-6H2
InChIKeyHXCIBDZCLATRBF-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.12
Rot. Bonds18

About 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine

2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine (PubChem CID 158613342) has the molecular formula C21H48N2O3 and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
PubChem CID158613342
Molecular FormulaC21H48N2O3
Molecular Weight376.63 g/mol
Exact Mass376.37
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
SMILESCCCCCN(CCCCC)CCCCC.OCCN(CCO)CCO
InChIInChI=1S/C15H33N.C6H15NO3/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;8-4-1-7(2-5-9)3-6-10/h4-15H2,1-3H3;8-10H,1-6H2
InChIKeyHXCIBDZCLATRBF-UHFFFAOYSA-N
XLogP3.12
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
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
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[heptyl(propyl)amino]ethanol;methanethiol
CID 177227133

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine (CID 158613342) is 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine is CCCCCN(CCCCC)CCCCC.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine?
The InChIKey is HXCIBDZCLATRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.C6H15NO3/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;8-4-1-7(2-5-9)3-6-10/h4-15H2,1-3H3;8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine?
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine has a molecular weight of 376.63 g/mol, XLogP of 3.12, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine is sourced from PubChem (CID 158613342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).