4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol

C13H27NO2 — CID 115722644

IUPAC4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol
SMILESC=CCCC(CCC)NC(CCO)COC
InChIInChI=1S/C13H27NO2/c1-4-6-8-12(7-5-2)14-13(9-10-15)11-16-3/h4,12-15H,1,5-11H2,2-3H3
InChIKeyCFFZODZCUXSOBL-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.11
Rot. Bonds11

About 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol

4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol (PubChem CID 115722644) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol
PubChem CID115722644
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol
SMILESC=CCCC(CCC)NC(CCO)COC
InChIInChI=1S/C13H27NO2/c1-4-6-8-12(7-5-2)14-13(9-10-15)11-16-3/h4,12-15H,1,5-11H2,2-3H3
InChIKeyCFFZODZCUXSOBL-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol (CID 115722644) is 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol is C=CCCC(CCC)NC(CCO)COC.
What is the InChIKey of 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol?
The InChIKey is CFFZODZCUXSOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-8-12(7-5-2)14-13(9-10-15)11-16-3/h4,12-15H,1,5-11H2,2-3H3.
What are the key properties of 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol?
4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol is sourced from PubChem (CID 115722644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).