ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine

C11H25NO2 — CID 142390837

IUPACethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine
SMILESC=C(COCCCCOC)NC.CC
InChIInChI=1S/C9H19NO2.C2H6/c1-9(10-2)8-12-7-5-4-6-11-3;1-2/h10H,1,4-8H2,2-3H3;1-2H3
InChIKeyBXMURINDLWVLLT-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.19
Rot. Bonds8

About ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine

ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine (PubChem CID 142390837) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Nameethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine
PubChem CID142390837
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nameethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine
SMILESC=C(COCCCCOC)NC.CC
InChIInChI=1S/C9H19NO2.C2H6/c1-9(10-2)8-12-7-5-4-6-11-3;1-2/h10H,1,4-8H2,2-3H3;1-2H3
InChIKeyBXMURINDLWVLLT-UHFFFAOYSA-N
XLogP2.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine?
The IUPAC name of ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine (CID 142390837) is ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine.
What is the SMILES notation for ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine?
The canonical SMILES for ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine is C=C(COCCCCOC)NC.CC.
What is the InChIKey of ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine?
The InChIKey is BXMURINDLWVLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6/c1-9(10-2)8-12-7-5-4-6-11-3;1-2/h10H,1,4-8H2,2-3H3;1-2H3.
What are the key properties of ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine?
ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine has a molecular weight of 203.33 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methoxybutoxy)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 142390837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).