2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

C17H33NO2 — CID 116725429

IUPAC2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESCCOC(C(NC)C1CCOC2(CCC2)C1)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-6-19-15(16(2,3)4)14(18-5)13-8-11-20-17(12-13)9-7-10-17/h13-15,18H,6-12H2,1-5H3
InChIKeyZFRCQNYVIZNCNB-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.37
Rot. Bonds5

About 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (PubChem CID 116725429) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
PubChem CID116725429
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESCCOC(C(NC)C1CCOC2(CCC2)C1)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-6-19-15(16(2,3)4)14(18-5)13-8-11-20-17(12-13)9-7-10-17/h13-15,18H,6-12H2,1-5H3
InChIKeyZFRCQNYVIZNCNB-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915589
2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine
CID 79912220
2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79915212
2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716712
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
CID 105016151
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 105010327
2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716937
[2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propyl]hydrazine
CID 105274254
1-(4-ethylcyclohexyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79912030
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,2,3-trimethylbutan-1-amine
CID 105012068

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (CID 116725429) is 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is CCOC(C(NC)C1CCOC2(CCC2)C1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The InChIKey is ZFRCQNYVIZNCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-19-15(16(2,3)4)14(18-5)13-8-11-20-17(12-13)9-7-10-17/h13-15,18H,6-12H2,1-5H3.
What are the key properties of 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is sourced from PubChem (CID 116725429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).