3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine

C18H35NO2 — CID 65169603

IUPAC3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCOCCC(C)C)C12CCCCC2
InChIInChI=1S/C18H35NO2/c1-4-21-17-14-16(18(17)9-6-5-7-10-18)19-11-13-20-12-8-15(2)3/h15-17,19H,4-14H2,1-3H3
InChIKeyZDNRWQJIXKSESM-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.77
Rot. Bonds9

About 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine

3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine (PubChem CID 65169603) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine
PubChem CID65169603
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCOCCC(C)C)C12CCCCC2
InChIInChI=1S/C18H35NO2/c1-4-21-17-14-16(18(17)9-6-5-7-10-18)19-11-13-20-12-8-15(2)3/h15-17,19H,4-14H2,1-3H3
InChIKeyZDNRWQJIXKSESM-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine (CID 65169603) is 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine is CCOC1CC(NCCOCCC(C)C)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine?
The InChIKey is ZDNRWQJIXKSESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-21-17-14-16(18(17)9-6-5-7-10-18)19-11-13-20-12-8-15(2)3/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine?
3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine has a molecular weight of 297.48 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).