3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine

C16H31NO2 — CID 65047702

IUPAC3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(COC)C(C)C)C12CCCC2
InChIInChI=1S/C16H31NO2/c1-5-19-15-10-14(16(15)8-6-7-9-16)17-13(11-18-4)12(2)3/h12-15,17H,5-11H2,1-4H3
InChIKeyHDHDKGHNRGPPNP-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.98
Rot. Bonds7

About 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine

3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine (PubChem CID 65047702) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
PubChem CID65047702
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(COC)C(C)C)C12CCCC2
InChIInChI=1S/C16H31NO2/c1-5-19-15-10-14(16(15)8-6-7-9-16)17-13(11-18-4)12(2)3/h12-15,17H,5-11H2,1-4H3
InChIKeyHDHDKGHNRGPPNP-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine (CID 65047702) is 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine is CCOC1CC(NC(COC)C(C)C)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine?
The InChIKey is HDHDKGHNRGPPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-19-15-10-14(16(15)8-6-7-9-16)17-13(11-18-4)12(2)3/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.98, 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[3.4]octan-1-amine is sourced from PubChem (CID 65047702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).