3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine

C17H32N2O — CID 65294174

IUPAC3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)CN2CCCCC2)C12CCC2
InChIInChI=1S/C17H32N2O/c1-3-20-16-12-15(17(16)8-7-9-17)18-14(2)13-19-10-5-4-6-11-19/h14-16,18H,3-13H2,1-2H3
InChIKeyNJEJKENZWYSNSE-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds6

About 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine (PubChem CID 65294174) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine
PubChem CID65294174
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)CN2CCCCC2)C12CCC2
InChIInChI=1S/C17H32N2O/c1-3-20-16-12-15(17(16)8-7-9-17)18-14(2)13-19-10-5-4-6-11-19/h14-16,18H,3-13H2,1-2H3
InChIKeyNJEJKENZWYSNSE-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Ethoxyspiro[3.3]heptan-1-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 75454288
1-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine
CID 97350626
1-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine
CID 97350628
1-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine
CID 98857702
1-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine
CID 98857704
2-[(2S)-2-(2-ethoxyhexyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane
CID 166503864
N-propan-2-yl-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-amine
CID 169289796
2-N,2-N,4-trimethyl-1-N-(2-propyloxan-4-yl)pentane-1,2-diamine
CID 64097995
2-N,2-N,4-trimethyl-1-N-(2-propan-2-yloxan-4-yl)pentane-1,2-diamine
CID 64098197
3-ethyl-2-N,2-N-dimethyl-1-N-(2-propyloxan-4-yl)pentane-1,2-diamine
CID 64098395
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-ethyloxan-4-amine
CID 64098556
3-ethyl-1-N-(2-ethyloxan-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 64098596

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine (CID 65294174) is 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine is CCOC1CC(NC(C)CN2CCCCC2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine?
The InChIKey is NJEJKENZWYSNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-20-16-12-15(17(16)8-7-9-17)18-14(2)13-19-10-5-4-6-11-19/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-piperidin-1-ylpropan-2-yl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).