2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C11H23NO2 — CID 103074661

IUPAC2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCCOC
InChIInChI=1S/C11H23NO2/c1-10(2)12-8-11(3)9-14-7-5-6-13-4/h10,12H,3,5-9H2,1-2,4H3
InChIKeyWRSLIXCNTKVFDW-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.59
Rot. Bonds9

About 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074661) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074661
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCCOC
InChIInChI=1S/C11H23NO2/c1-10(2)12-8-11(3)9-14-7-5-6-13-4/h10,12H,3,5-9H2,1-2,4H3
InChIKeyWRSLIXCNTKVFDW-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074661) is 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCCCOC.
What is the InChIKey of 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is WRSLIXCNTKVFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)12-8-11(3)9-14-7-5-6-13-4/h10,12H,3,5-9H2,1-2,4H3.
What are the key properties of 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).