3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine

C15H29NO — CID 64865595

IUPAC3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC(C)CC)C12CCCC2
InChIInChI=1S/C15H29NO/c1-4-12(3)11-16-13-10-14(17-5-2)15(13)8-6-7-9-15/h12-14,16H,4-11H2,1-3H3
InChIKeyNMGWQCSJZCWGCS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

About 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine

3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine (PubChem CID 64865595) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine
PubChem CID64865595
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC(C)CC)C12CCCC2
InChIInChI=1S/C15H29NO/c1-4-12(3)11-16-13-10-14(17-5-2)15(13)8-6-7-9-15/h12-14,16H,4-11H2,1-3H3
InChIKeyNMGWQCSJZCWGCS-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine (CID 64865595) is 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine is CCOC1CC(NCC(C)CC)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine?
The InChIKey is NMGWQCSJZCWGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-12(3)11-16-13-10-14(17-5-2)15(13)8-6-7-9-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 64865595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).