3-ethoxy-N-propylspiro[3.5]nonan-1-amine

C14H27NO — CID 54595226

IUPAC3-ethoxy-N-propylspiro[3.5]nonan-1-amine
SMILESCCCNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C14H27NO/c1-3-10-15-12-11-13(16-4-2)14(12)8-6-5-7-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyLSUHXIGKBRYHFK-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds5

About 3-ethoxy-N-propylspiro[3.5]nonan-1-amine

3-ethoxy-N-propylspiro[3.5]nonan-1-amine (PubChem CID 54595226) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-ethoxy-N-propylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-propylspiro[3.5]nonan-1-amine
PubChem CID54595226
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-ethoxy-N-propylspiro[3.5]nonan-1-amine
SMILESCCCNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C14H27NO/c1-3-10-15-12-11-13(16-4-2)14(12)8-6-5-7-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyLSUHXIGKBRYHFK-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-propylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-propylspiro[3.5]nonan-1-amine (CID 54595226) is 3-ethoxy-N-propylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-propylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-propylspiro[3.5]nonan-1-amine is CCCNC1CC(OCC)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-propylspiro[3.5]nonan-1-amine?
The InChIKey is LSUHXIGKBRYHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-10-15-12-11-13(16-4-2)14(12)8-6-5-7-9-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-propylspiro[3.5]nonan-1-amine?
3-ethoxy-N-propylspiro[3.5]nonan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-propylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 54595226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).