3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol

C21H46N2O3 — CID 118243056

IUPAC3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol
SMILESCCCCCCCCCCC(C)C(O)CNCCOCCOCCNC
InChIInChI=1S/C21H46N2O3/c1-4-5-6-7-8-9-10-11-12-20(2)21(24)19-23-14-16-26-18-17-25-15-13-22-3/h20-24H,4-19H2,1-3H3
InChIKeyRWQYPTBHXRQGGC-UHFFFAOYSA-N
MW374.61 g/mol
LogP3.36
Rot. Bonds21

About 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol

3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol (PubChem CID 118243056) has the molecular formula C21H46N2O3 and a molecular weight of 374.61 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol
PubChem CID118243056
Molecular FormulaC21H46N2O3
Molecular Weight374.61 g/mol
Exact Mass374.35
IUPAC Name3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol
SMILESCCCCCCCCCCC(C)C(O)CNCCOCCOCCNC
InChIInChI=1S/C21H46N2O3/c1-4-5-6-7-8-9-10-11-12-20(2)21(24)19-23-14-16-26-18-17-25-15-13-22-3/h20-24H,4-19H2,1-3H3
InChIKeyRWQYPTBHXRQGGC-UHFFFAOYSA-N
XLogP3.36
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1,4-Dioxan-2-ylmethyl)(7-methoxy-3,7-dimethyloctyl)amine
CID 45933228
1-(2-Hydroxyethylamino)-3-(16-methylheptadecoxy)propan-2-ol
CID 22321191
1-(2-Hydroxyethylamino)-3-[10-(2-ethylhexyloxy)decyloxy]-2-propanol
CID 9865904
3,7,11-Trimethyl-1-(methylamino)dodecane-2,3-diol
CID 13933142
3,7,11,15-Tetramethyl-1-(methylamino)hexadecane-2,3-diol
CID 13933146
3,7,11-Trimethyl-1-(3-morpholin-4-ylpropylamino)dodecane-2,3-diol
CID 13933164
1-(2-Hydroxyethylamino)-3,7,11-trimethyldodecane-2,3-diol
CID 13933166
3,7,11-Trimethyl-1-(methylamino)dodecan-2-ol
CID 13933174
1-(2-Hydroxyethylamino)-3-(10-methylhexadecyloxy)-2-propanol
CID 18980513
1-(9-Cyclohexylnonoxy)-3-(2-hydroxyethylamino)propan-2-ol
CID 18980514
1-(2-Hydroxyethylamino)-3-(11-methylhexadecoxy)propan-2-ol
CID 18980519
1-(11-Cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol
CID 18980522

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol?
The IUPAC name of 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol (CID 118243056) is 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol.
What is the SMILES notation for 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol?
The canonical SMILES for 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol is CCCCCCCCCCC(C)C(O)CNCCOCCOCCNC.
What is the InChIKey of 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol?
The InChIKey is RWQYPTBHXRQGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2O3/c1-4-5-6-7-8-9-10-11-12-20(2)21(24)19-23-14-16-26-18-17-25-15-13-22-3/h20-24H,4-19H2,1-3H3.
What are the key properties of 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol?
3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol has a molecular weight of 374.61 g/mol, XLogP of 3.36, 21 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol is sourced from PubChem (CID 118243056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).