2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine

C20H43NO5 — CID 172516373

IUPAC2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine
SMILESCC(C)CCCOCC(C)OCC(C)OCC(C)OCC(C)OCCN
InChIInChI=1S/C20H43NO5/c1-16(2)8-7-10-22-12-17(3)24-14-19(5)26-15-20(6)25-13-18(4)23-11-9-21/h16-20H,7-15,21H2,1-6H3
InChIKeyIVMCOBAVJAVPJD-UHFFFAOYSA-N
MW377.57 g/mol
LogP3.02
Rot. Bonds18

About 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine

2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine (PubChem CID 172516373) has the molecular formula C20H43NO5 and a molecular weight of 377.57 g/mol. Its IUPAC name is 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine.

Molecular Properties

Compound Name2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine
PubChem CID172516373
Molecular FormulaC20H43NO5
Molecular Weight377.57 g/mol
Exact Mass377.31
IUPAC Name2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine
SMILESCC(C)CCCOCC(C)OCC(C)OCC(C)OCC(C)OCCN
InChIInChI=1S/C20H43NO5/c1-16(2)8-7-10-22-12-17(3)24-14-19(5)26-15-20(6)25-13-18(4)23-11-9-21/h16-20H,7-15,21H2,1-6H3
InChIKeyIVMCOBAVJAVPJD-UHFFFAOYSA-N
XLogP3.02
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
2-ethoxy-3-(4-methylpentoxy)propan-1-amine
CID 63070823
2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822
2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane
CID 71321218
1-(2,3-dimethylbutoxy)-4-methylpentane
CID 157134146
2-[2-(6-methylheptoxy)propoxy]propan-1-ol
CID 154124865
1,2-bis(2-fluoroethoxy)propane
CID 175717319
7-methyl-1-(2-methylpropoxy)octane
CID 23222552

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine?
The IUPAC name of 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine (CID 172516373) is 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine.
What is the SMILES notation for 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine?
The canonical SMILES for 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine is CC(C)CCCOCC(C)OCC(C)OCC(C)OCC(C)OCCN.
What is the InChIKey of 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine?
The InChIKey is IVMCOBAVJAVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO5/c1-16(2)8-7-10-22-12-17(3)24-14-19(5)26-15-20(6)25-13-18(4)23-11-9-21/h16-20H,7-15,21H2,1-6H3.
What are the key properties of 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine?
2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine has a molecular weight of 377.57 g/mol, XLogP of 3.02, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[1-[1-(4-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethanamine is sourced from PubChem (CID 172516373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).