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

C16H30N2O — CID 65294477

IUPAC3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCC2CCCCN2C)C12CCC2
InChIInChI=1S/C16H30N2O/c1-3-19-15-11-14(16(15)8-6-9-16)17-12-13-7-4-5-10-18(13)2/h13-15,17H,3-12H2,1-2H3
InChIKeyQYWUGWMFWFEQBY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds5

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

3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine (PubChem CID 65294477) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine
PubChem CID65294477
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCC2CCCCN2C)C12CCC2
InChIInChI=1S/C16H30N2O/c1-3-19-15-11-14(16(15)8-6-9-16)17-12-13-7-4-5-10-18(13)2/h13-15,17H,3-12H2,1-2H3
InChIKeyQYWUGWMFWFEQBY-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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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
3-ethyl-2-N,2-N-dimethyl-1-N-(2-propan-2-yloxan-4-yl)pentane-1,2-diamine
CID 64098598
2,2-dimethyl-3-(2-methylpropoxy)-N-(2-piperidin-1-ylethyl)cyclobutan-1-amine
CID 64850201
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine
CID 64850362
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850571
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850604

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine (CID 65294477) is 3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine is CCOC1CC(NCC2CCCCN2C)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine?
The InChIKey is QYWUGWMFWFEQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-19-15-11-14(16(15)8-6-9-16)17-12-13-7-4-5-10-18(13)2/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-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 3-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).