ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine

C14H35NO3 — CID 176551886

IUPACethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine
SMILESCC.CC.CNCCCOCCCOCCOC
InChIInChI=1S/C10H23NO3.2C2H6/c1-11-5-3-6-13-7-4-8-14-10-9-12-2;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeySYQXYQYYKJEUSS-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.72
Rot. Bonds11

About ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine

ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine (PubChem CID 176551886) has the molecular formula C14H35NO3 and a molecular weight of 265.44 g/mol. Its IUPAC name is ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine
PubChem CID176551886
Molecular FormulaC14H35NO3
Molecular Weight265.44 g/mol
Exact Mass265.26
IUPAC Nameethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine
SMILESCC.CC.CNCCCOCCCOCCOC
InChIInChI=1S/C10H23NO3.2C2H6/c1-11-5-3-6-13-7-4-8-14-10-9-12-2;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeySYQXYQYYKJEUSS-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.72
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

6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine;1-methoxy-2-(2-methoxyethoxy)ethane
CID 168897586
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
ethane;2-methoxy-N-[3-[4-(methylamino)butoxy]propyl]acetamide
CID 176551860
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
1,8-bis(2-methoxyethoxy)octane
CID 143118909

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine?
The IUPAC name of ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine (CID 176551886) is ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine.
What is the SMILES notation for ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine?
The canonical SMILES for ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine is CC.CC.CNCCCOCCCOCCOC.
What is the InChIKey of ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine?
The InChIKey is SYQXYQYYKJEUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3.2C2H6/c1-11-5-3-6-13-7-4-8-14-10-9-12-2;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine?
ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 176551886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).