2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine

C11H23NO2 — CID 103227663

IUPAC2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine
SMILESC/C=C/COC(CNCCC)COC
InChIInChI=1S/C11H23NO2/c1-4-6-8-14-11(10-13-3)9-12-7-5-2/h4,6,11-12H,5,7-10H2,1-3H3/b6-4+
InChIKeyJHOOFDOVACHDOA-GQCTYLIASA-N
MW201.31 g/mol
LogP1.59
Rot. Bonds9

About 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine

2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine (PubChem CID 103227663) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine
PubChem CID103227663
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine
SMILESC/C=C/COC(CNCCC)COC
InChIInChI=1S/C11H23NO2/c1-4-6-8-14-11(10-13-3)9-12-7-5-2/h4,6,11-12H,5,7-10H2,1-3H3/b6-4+
InChIKeyJHOOFDOVACHDOA-GQCTYLIASA-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'}

Analyze 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexoxy-3-methoxy-N-propylpropan-1-amine
CID 103227913
N-(2-but-2-enoxyethyl)propan-1-amine
CID 76940105
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
CID 81016349
3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 103228633
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine
CID 104566671
2-methoxy-N-propylbutan-1-amine
CID 62446369
N-ethyl-3-methoxy-2-pentoxypropan-1-amine
CID 103228001
2-(2-methylpropoxy)-N-propylbutan-1-amine
CID 62443382
2-(4-bromo-2,5-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 107661120
3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
CID 103225186
1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol
CID 173393097
2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 103228055

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine (CID 103227663) is 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine is C/C=C/COC(CNCCC)COC.
What is the InChIKey of 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine?
The InChIKey is JHOOFDOVACHDOA-GQCTYLIASA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-8-14-11(10-13-3)9-12-7-5-2/h4,6,11-12H,5,7-10H2,1-3H3/b6-4+.
What are the key properties of 2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine?
2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-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-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103227663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).