3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine

C17H32N2O — CID 65294472

IUPAC3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCN2CCC(C)CC2)C12CCC2
InChIInChI=1S/C17H32N2O/c1-3-20-16-13-15(17(16)7-4-8-17)18-9-12-19-10-5-14(2)6-11-19/h14-16,18H,3-13H2,1-2H3
InChIKeyGRCUWFWWDRPFRD-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds6

About 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine (PubChem CID 65294472) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine
PubChem CID65294472
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCN2CCC(C)CC2)C12CCC2
InChIInChI=1S/C17H32N2O/c1-3-20-16-13-15(17(16)7-4-8-17)18-9-12-19-10-5-14(2)6-11-19/h14-16,18H,3-13H2,1-2H3
InChIKeyGRCUWFWWDRPFRD-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine (CID 65294472) is 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine is CCOC1CC(NCCN2CCC(C)CC2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine?
The InChIKey is GRCUWFWWDRPFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-20-16-13-15(17(16)7-4-8-17)18-9-12-19-10-5-14(2)6-11-19/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).