1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C11H23NO3 — CID 106990482

IUPAC1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESC=CCCNCC(O)COC(C)COC
InChIInChI=1S/C11H23NO3/c1-4-5-6-12-7-11(13)9-15-10(2)8-14-3/h4,10-13H,1,5-9H2,2-3H3
InChIKeyKMQPLFQUTHJWKH-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.56
Rot. Bonds10

About 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106990482) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106990482
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESC=CCCNCC(O)COC(C)COC
InChIInChI=1S/C11H23NO3/c1-4-5-6-12-7-11(13)9-15-10(2)8-14-3/h4,10-13H,1,5-9H2,2-3H3
InChIKeyKMQPLFQUTHJWKH-UHFFFAOYSA-N
XLogP0.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106990482) is 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is C=CCCNCC(O)COC(C)COC.
What is the InChIKey of 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is KMQPLFQUTHJWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-5-6-12-7-11(13)9-15-10(2)8-14-3/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-enylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106990482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).