1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine

C15H31NO2 — CID 112754797

IUPAC1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCCCOC)C1CCOC1CC
InChIInChI=1S/C15H31NO2/c1-4-10-16-14(8-6-7-11-17-3)13-9-12-18-15(13)5-2/h13-16H,4-12H2,1-3H3
InChIKeyZWMISCJMVXAPIU-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds10

About 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine

1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine (PubChem CID 112754797) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine
PubChem CID112754797
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCCCOC)C1CCOC1CC
InChIInChI=1S/C15H31NO2/c1-4-10-16-14(8-6-7-11-17-3)13-9-12-18-15(13)5-2/h13-16H,4-12H2,1-3H3
InChIKeyZWMISCJMVXAPIU-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 13025937
CID 13025937
CID 103025141
CID 103025141
CID 103027358
CID 103027358
CID 103028613
CID 103028613
CID 103028615
CID 103028615
CID 103028616
CID 103028616
CID 103031412
CID 103031412
CID 103031567
CID 103031567
CID 103031584
CID 103031584
CID 103031629
CID 103031629
CID 103032045
CID 103032045
CID 103032062
CID 103032062

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine (CID 112754797) is 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine is CCCNC(CCCCOC)C1CCOC1CC.
What is the InChIKey of 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine?
The InChIKey is ZWMISCJMVXAPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-10-16-14(8-6-7-11-17-3)13-9-12-18-15(13)5-2/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine?
1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 112754797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).