N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine

C16H30N2O — CID 65294278

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine
SMILESCCOC1CC(NC2CCCN(CC)C2)C12CCC2
InChIInChI=1S/C16H30N2O/c1-3-18-10-5-7-13(12-18)17-14-11-15(19-4-2)16(14)8-6-9-16/h13-15,17H,3-12H2,1-2H3
InChIKeyNHIHOWCHIJMSCH-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds5

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine (PubChem CID 65294278) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine
PubChem CID65294278
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine
SMILESCCOC1CC(NC2CCCN(CC)C2)C12CCC2
InChIInChI=1S/C16H30N2O/c1-3-18-10-5-7-13(12-18)17-14-11-15(19-4-2)16(14)8-6-9-16/h13-15,17H,3-12H2,1-2H3
InChIKeyNHIHOWCHIJMSCH-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine (CID 65294278) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine is CCOC1CC(NC2CCCN(CC)C2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine?
The InChIKey is NHIHOWCHIJMSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-18-10-5-7-13(12-18)17-14-11-15(19-4-2)16(14)8-6-9-16/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 65294278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).