4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine

C15H31NO2 — CID 103031584

IUPAC4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCCOC1
InChIInChI=1S/C15H31NO2/c1-5-10-16-14(8-9-15(2,3)17-4)13-7-6-11-18-12-13/h13-14,16H,5-12H2,1-4H3
InChIKeyUIDBKRVTUMFPSA-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds8

About 4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine

4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine (PubChem CID 103031584) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine
PubChem CID103031584
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCCOC1
InChIInChI=1S/C15H31NO2/c1-5-10-16-14(8-9-15(2,3)17-4)13-7-6-11-18-12-13/h13-14,16H,5-12H2,1-4H3
InChIKeyUIDBKRVTUMFPSA-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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-(oxan-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine (CID 103031584) is 4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1CCCOC1.
What is the InChIKey of 4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine?
The InChIKey is UIDBKRVTUMFPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-10-16-14(8-9-15(2,3)17-4)13-7-6-11-18-12-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine?
4-methoxy-4-methyl-1-(oxan-3-yl)-N-propylpentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 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-(oxan-3-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 103031584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).