2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol

C20H44N2O2 — CID 134271956

IUPAC2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol
SMILESCCCCCCCC(CCCCC)N(CCNC)CCOCCO
InChIInChI=1S/C20H44N2O2/c1-4-6-8-9-11-13-20(12-10-7-5-2)22(15-14-21-3)16-18-24-19-17-23/h20-21,23H,4-19H2,1-3H3
InChIKeyXVPUVKIRHPWNTH-UHFFFAOYSA-N
MW344.58 g/mol
LogP3.83
Rot. Bonds19

About 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol

2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol (PubChem CID 134271956) has the molecular formula C20H44N2O2 and a molecular weight of 344.58 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol
PubChem CID134271956
Molecular FormulaC20H44N2O2
Molecular Weight344.58 g/mol
Exact Mass344.34
IUPAC Name2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol
SMILESCCCCCCCC(CCCCC)N(CCNC)CCOCCO
InChIInChI=1S/C20H44N2O2/c1-4-6-8-9-11-13-20(12-10-7-5-2)22(15-14-21-3)16-18-24-19-17-23/h20-21,23H,4-19H2,1-3H3
InChIKeyXVPUVKIRHPWNTH-UHFFFAOYSA-N
XLogP3.83
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol
CID 175685061
2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
CID 82965560
2-(4-butyldecoxy)ethanol
CID 166649163
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[dodecyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102050774
2-heptoxyethanol
CID 23889
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
2-butoxyethanol
CID 8133

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol (CID 134271956) is 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol is CCCCCCCC(CCCCC)N(CCNC)CCOCCO.
What is the InChIKey of 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol?
The InChIKey is XVPUVKIRHPWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O2/c1-4-6-8-9-11-13-20(12-10-7-5-2)22(15-14-21-3)16-18-24-19-17-23/h20-21,23H,4-19H2,1-3H3.
What are the key properties of 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol?
2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol has a molecular weight of 344.58 g/mol, XLogP of 3.83, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol is sourced from PubChem (CID 134271956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).