3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine

C17H35NO — CID 157048810

IUPAC3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine
SMILESCCCC(CC)C(CCC)C1(N(C)CCC)COC1
InChIInChI=1S/C17H35NO/c1-6-10-15(9-4)16(11-7-2)17(13-19-14-17)18(5)12-8-3/h15-16H,6-14H2,1-5H3
InChIKeyCLGCJYJTMQXIFG-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.34
Rot. Bonds10

About 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine

3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine (PubChem CID 157048810) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine.

Molecular Properties

Compound Name3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine
PubChem CID157048810
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine
SMILESCCCC(CC)C(CCC)C1(N(C)CCC)COC1
InChIInChI=1S/C17H35NO/c1-6-10-15(9-4)16(11-7-2)17(13-19-14-17)18(5)12-8-3/h15-16H,6-14H2,1-5H3
InChIKeyCLGCJYJTMQXIFG-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine?
The IUPAC name of 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine (CID 157048810) is 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine.
What is the SMILES notation for 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine?
The canonical SMILES for 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine is CCCC(CC)C(CCC)C1(N(C)CCC)COC1.
What is the InChIKey of 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine?
The InChIKey is CLGCJYJTMQXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-10-15(9-4)16(11-7-2)17(13-19-14-17)18(5)12-8-3/h15-16H,6-14H2,1-5H3.
What are the key properties of 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine?
3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine has a molecular weight of 269.47 g/mol, XLogP of 4.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyloctan-4-yl)-N-methyl-N-propyloxetan-3-amine is sourced from PubChem (CID 157048810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).