3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride

C12H24ClNO — CID 54595227

IUPAC3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride
SMILESCCOC1CC(NC)C12CCCCC2.Cl
InChIInChI=1S/C12H23NO.ClH/c1-3-14-11-9-10(13-2)12(11)7-5-4-6-8-12;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyPOGKPROWLOJWTH-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.76
Rot. Bonds3

About 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride

3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride (PubChem CID 54595227) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride
PubChem CID54595227
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride
SMILESCCOC1CC(NC)C12CCCCC2.Cl
InChIInChI=1S/C12H23NO.ClH/c1-3-14-11-9-10(13-2)12(11)7-5-4-6-8-12;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyPOGKPROWLOJWTH-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride?
The IUPAC name of 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride (CID 54595227) is 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride?
The canonical SMILES for 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride is CCOC1CC(NC)C12CCCCC2.Cl.
What is the InChIKey of 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride?
The InChIKey is POGKPROWLOJWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.ClH/c1-3-14-11-9-10(13-2)12(11)7-5-4-6-8-12;/h10-11,13H,3-9H2,1-2H3;1H.
What are the key properties of 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride?
3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride has a molecular weight of 233.78 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methylspiro[3.5]nonan-1-amine;hydrochloride is sourced from PubChem (CID 54595227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).