4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine

C15H31NO2 — CID 103031267

IUPAC4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCC(C)O1
InChIInChI=1S/C15H31NO2/c1-6-11-16-13(9-10-15(3,4)17-5)14-8-7-12(2)18-14/h12-14,16H,6-11H2,1-5H3
InChIKeyHEBDZDCLOXOBHY-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.13
Rot. Bonds8

About 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine

4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 103031267) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
PubChem CID103031267
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCC(C)O1
InChIInChI=1S/C15H31NO2/c1-6-11-16-13(9-10-15(3,4)17-5)14-8-7-12(2)18-14/h12-14,16H,6-11H2,1-5H3
InChIKeyHEBDZDCLOXOBHY-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine (CID 103031267) is 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1CCC(C)O1.
What is the InChIKey of 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is HEBDZDCLOXOBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-11-16-13(9-10-15(3,4)17-5)14-8-7-12(2)18-14/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine?
4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 103031267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).