2-[2-(hexadecan-2-ylamino)ethylamino]ethanol

C20H44N2O — CID 102117969

IUPAC2-[2-(hexadecan-2-ylamino)ethylamino]ethanol
SMILESCCCCCCCCCCCCCCC(C)NCCNCCO
InChIInChI=1S/C20H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(2)22-17-16-21-18-19-23/h20-23H,3-19H2,1-2H3
InChIKeyCPGXZJXMIWSBNB-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.64
Rot. Bonds19

About 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol

2-[2-(hexadecan-2-ylamino)ethylamino]ethanol (PubChem CID 102117969) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(hexadecan-2-ylamino)ethylamino]ethanol
PubChem CID102117969
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Name2-[2-(hexadecan-2-ylamino)ethylamino]ethanol
SMILESCCCCCCCCCCCCCCC(C)NCCNCCO
InChIInChI=1S/C20H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(2)22-17-16-21-18-19-23/h20-23H,3-19H2,1-2H3
InChIKeyCPGXZJXMIWSBNB-UHFFFAOYSA-N
XLogP4.64
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(octylamino)pentan-1-ol
CID 98118615
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
3-(octylamino)butan-1-ol
CID 83177243
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182
2-methyl-5-(nonan-2-ylamino)pentan-1-ol
CID 104862242

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol?
The IUPAC name of 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol (CID 102117969) is 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol?
The canonical SMILES for 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol is CCCCCCCCCCCCCCC(C)NCCNCCO.
What is the InChIKey of 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol?
The InChIKey is CPGXZJXMIWSBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(2)22-17-16-21-18-19-23/h20-23H,3-19H2,1-2H3.
What are the key properties of 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol?
2-[2-(hexadecan-2-ylamino)ethylamino]ethanol has a molecular weight of 328.59 g/mol, XLogP of 4.64, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hexadecan-2-ylamino)ethylamino]ethanol is sourced from PubChem (CID 102117969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).