2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine

C17H33NO2 — CID 116758128

IUPAC2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
SMILESCCCNC(C1CCOC2(CCC2)C1)C(C)(CC)OC
InChIInChI=1S/C17H33NO2/c1-5-11-18-15(16(3,6-2)19-4)14-8-12-20-17(13-14)9-7-10-17/h14-15,18H,5-13H2,1-4H3
InChIKeyMVYHPFLYHKSZQM-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.52
Rot. Bonds7

About 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine

2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine (PubChem CID 116758128) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
PubChem CID116758128
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
SMILESCCCNC(C1CCOC2(CCC2)C1)C(C)(CC)OC
InChIInChI=1S/C17H33NO2/c1-5-11-18-15(16(3,6-2)19-4)14-8-12-20-17(13-14)9-7-10-17/h14-15,18H,5-13H2,1-4H3
InChIKeyMVYHPFLYHKSZQM-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
CID 116758127
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
[2-methoxy-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butyl]hydrazine
CID 105274344
[2,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
CID 105322295
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
[2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propyl]hydrazine
CID 105274254
[2,2-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butyl]hydrazine
CID 105325523
[2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
CID 105275240
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700
N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propoxyethyl]propan-1-amine
CID 79914384
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine (CID 116758128) is 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine is CCCNC(C1CCOC2(CCC2)C1)C(C)(CC)OC.
What is the InChIKey of 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine?
The InChIKey is MVYHPFLYHKSZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-11-18-15(16(3,6-2)19-4)14-8-12-20-17(13-14)9-7-10-17/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine?
2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 116758128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).