3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride

C10H20ClNO — CID 71756381

IUPAC3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride
SMILESCCOC1CC(NC)C12CCC2.Cl
InChIInChI=1S/C10H19NO.ClH/c1-3-12-9-7-8(11-2)10(9)5-4-6-10;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyOGJAEMCPRPZMDG-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.98
Rot. Bonds3

About 3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride

3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride (PubChem CID 71756381) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride
PubChem CID71756381
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride
SMILESCCOC1CC(NC)C12CCC2.Cl
InChIInChI=1S/C10H19NO.ClH/c1-3-12-9-7-8(11-2)10(9)5-4-6-10;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyOGJAEMCPRPZMDG-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.98
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[3.3]heptan-1-amine;hydrochloride?
The IUPAC name of 3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride (CID 71756381) is 3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride?
The canonical SMILES for 3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride is CCOC1CC(NC)C12CCC2.Cl.
What is the InChIKey of 3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride?
The InChIKey is OGJAEMCPRPZMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-3-12-9-7-8(11-2)10(9)5-4-6-10;/h8-9,11H,3-7H2,1-2H3;1H.
What are the key properties of 3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride?
3-ethoxy-N-methylspiro[3.3]heptan-1-amine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 1.98, 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[3.3]heptan-1-amine;hydrochloride is sourced from PubChem (CID 71756381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).