3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine

C17H33NO2 — CID 65169563

IUPAC3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC(COC)C(C)C)C12CCCCC2
InChIInChI=1S/C17H33NO2/c1-5-20-16-11-15(17(16)9-7-6-8-10-17)18-14(12-19-4)13(2)3/h13-16,18H,5-12H2,1-4H3
InChIKeyHALRCYKBXUEGLZ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.37
Rot. Bonds7

About 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine (PubChem CID 65169563) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine
PubChem CID65169563
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC(COC)C(C)C)C12CCCCC2
InChIInChI=1S/C17H33NO2/c1-5-20-16-11-15(17(16)9-7-6-8-10-17)18-14(12-19-4)13(2)3/h13-16,18H,5-12H2,1-4H3
InChIKeyHALRCYKBXUEGLZ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine
CID 65169613
N-propyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
CID 82783591
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 103082761
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.5]nonan-1-amine
CID 115517265
2-(2-Methyltetradecan-2-yl)morpholine
CID 17802944
N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine
CID 58384613
N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine
CID 59906416
N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine
CID 59906420
N-[(2S)-1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine
CID 59906436
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
1,2-dicyclohexyl-2-ethoxy-N-methylethanamine
CID 116772161
2-[Cyclohexyl(2-methylpropoxy)methyl]piperidine
CID 126664190

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine (CID 65169563) is 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine is CCOC1CC(NC(COC)C(C)C)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine?
The InChIKey is HALRCYKBXUEGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-20-16-11-15(17(16)9-7-6-8-10-17)18-14(12-19-4)13(2)3/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).