1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C17H33NO3 — CID 103028616

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H33NO3/c1-5-8-18-15(12-16(2,3)19-4)14-6-9-21-17(11-14)7-10-20-13-17/h14-15,18H,5-13H2,1-4H3
InChIKeyHNEWRZBIGXHVGI-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.76
Rot. Bonds7

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 103028616) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID103028616
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H33NO3/c1-5-8-18-15(12-16(2,3)19-4)14-6-9-21-17(11-14)7-10-20-13-17/h14-15,18H,5-13H2,1-4H3
InChIKeyHNEWRZBIGXHVGI-UHFFFAOYSA-N
XLogP2.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 103028616) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is HNEWRZBIGXHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-8-18-15(12-16(2,3)19-4)14-6-9-21-17(11-14)7-10-20-13-17/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 299.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103028616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).