1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol

C11H23NO3 — CID 106990487

IUPAC1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol
SMILESC=CCC(C)NCC(O)COCCOC
InChIInChI=1S/C11H23NO3/c1-4-5-10(2)12-8-11(13)9-15-7-6-14-3/h4,10-13H,1,5-9H2,2-3H3
InChIKeyLBPFJOMNNIEXBQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.56
Rot. Bonds10

About 1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol

1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol (PubChem CID 106990487) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol
PubChem CID106990487
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol
SMILESC=CCC(C)NCC(O)COCCOC
InChIInChI=1S/C11H23NO3/c1-4-5-10(2)12-8-11(13)9-15-7-6-14-3/h4,10-13H,1,5-9H2,2-3H3
InChIKeyLBPFJOMNNIEXBQ-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol (CID 106990487) is 1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol is C=CCC(C)NCC(O)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol?
The InChIKey is LBPFJOMNNIEXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-5-10(2)12-8-11(13)9-15-7-6-14-3/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol?
1-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)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-(2-methoxyethoxy)-3-(pent-4-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 106990487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).