N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C21H45NO6 — CID 176934271

IUPACN-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCC(C)CCOCCOCCOCCOCCOCCOCCN(C)CC
InChIInChI=1S/C21H45NO6/c1-5-21(3)7-9-23-11-13-25-15-17-27-19-20-28-18-16-26-14-12-24-10-8-22(4)6-2/h21H,5-20H2,1-4H3
InChIKeyUBGHTLSVZFIOGF-UHFFFAOYSA-N
MW407.59 g/mol
LogP2.47
Rot. Bonds23

About N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 176934271) has the molecular formula C21H45NO6 and a molecular weight of 407.59 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID176934271
Molecular FormulaC21H45NO6
Molecular Weight407.59 g/mol
Exact Mass407.32
IUPAC NameN-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCC(C)CCOCCOCCOCCOCCOCCOCCN(C)CC
InChIInChI=1S/C21H45NO6/c1-5-21(3)7-9-23-11-13-25-15-17-27-19-20-28-18-16-26-14-12-24-10-8-22(4)6-2/h21H,5-20H2,1-4H3
InChIKeyUBGHTLSVZFIOGF-UHFFFAOYSA-N
XLogP2.47
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
CID 143398421
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
N-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl]-N-methylpropan-2-amine
CID 177053557
N-ethyl-N-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 165119291
3-methyl-1-propoxypentane
CID 123388243
N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine
CID 170062056
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
CID 172857942
(3R)-1-(2-fluoroethoxy)-3-methylpentane
CID 130394752
2-[2-[methyl(2-methylbutyl)amino]ethoxy]ethanol
CID 61070692
N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
CID 164906899

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 176934271) is N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CCC(C)CCOCCOCCOCCOCCOCCOCCN(C)CC.
What is the InChIKey of N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is UBGHTLSVZFIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO6/c1-5-21(3)7-9-23-11-13-25-15-17-27-19-20-28-18-16-26-14-12-24-10-8-22(4)6-2/h21H,5-20H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 407.59 g/mol, XLogP of 2.47, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 176934271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).