1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine

C12H27NO3 — CID 104560721

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
SMILESCCC(C)C(COCCOCCOC)NC
InChIInChI=1S/C12H27NO3/c1-5-11(2)12(13-3)10-16-9-8-15-7-6-14-4/h11-13H,5-10H2,1-4H3
InChIKeyHOSIIAURNZMSOC-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.30
Rot. Bonds11

About 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine

1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine (PubChem CID 104560721) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
PubChem CID104560721
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
SMILESCCC(C)C(COCCOCCOC)NC
InChIInChI=1S/C12H27NO3/c1-5-11(2)12(13-3)10-16-9-8-15-7-6-14-4/h11-13H,5-10H2,1-4H3
InChIKeyHOSIIAURNZMSOC-UHFFFAOYSA-N
XLogP1.30
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine
CID 112587358
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylpropan-2-amine
CID 104560632
1-[2-(2-methoxyethoxy)ethoxy]-N-methylpropan-2-amine
CID 104560820
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
triethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phosphanium
CID 149435050
N,4-dimethylhexan-3-amine
CID 63559808
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
CID 104564561
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
CID 82948133
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine (CID 104560721) is 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine is CCC(C)C(COCCOCCOC)NC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine?
The InChIKey is HOSIIAURNZMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-5-11(2)12(13-3)10-16-9-8-15-7-6-14-4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine?
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 1.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine is sourced from PubChem (CID 104560721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).