N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine

C17H31NO2 — CID 64864059

IUPACN-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCOC2CCCC2)C12CCCC2
InChIInChI=1S/C17H31NO2/c1-2-19-16-13-15(17(16)9-5-6-10-17)18-11-12-20-14-7-3-4-8-14/h14-16,18H,2-13H2,1H3
InChIKeyUACCBWBJHCOYIS-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.27
Rot. Bonds7

About N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine

N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 64864059) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID64864059
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCOC2CCCC2)C12CCCC2
InChIInChI=1S/C17H31NO2/c1-2-19-16-13-15(17(16)9-5-6-10-17)18-11-12-20-14-7-3-4-8-14/h14-16,18H,2-13H2,1H3
InChIKeyUACCBWBJHCOYIS-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295628
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 103922077
N-(3-ethoxyspiro[3.4]octan-1-yl)-N',N'-diethylethane-1,2-diamine
CID 64862891
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine
CID 115906306
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine (CID 64864059) is N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NCCOC2CCCC2)C12CCCC2.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is UACCBWBJHCOYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-19-16-13-15(17(16)9-5-6-10-17)18-11-12-20-14-7-3-4-8-14/h14-16,18H,2-13H2,1H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine?
N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 64864059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).