N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine

C15H27NO2 — CID 79903516

IUPACN-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1CCC(OCCNC2CCOC3(CCC3)C2)C1
InChIInChI=1S/C15H27NO2/c1-2-5-14(4-1)17-11-9-16-13-6-10-18-15(12-13)7-3-8-15/h13-14,16H,1-12H2
InChIKeyVHQBHXMKPQTEEJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.64
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79903516) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79903516
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1CCC(OCCNC2CCOC3(CCC3)C2)C1
InChIInChI=1S/C15H27NO2/c1-2-5-14(4-1)17-11-9-16-13-6-10-18-15(12-13)7-3-8-15/h13-14,16H,1-12H2
InChIKeyVHQBHXMKPQTEEJ-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895357
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-cyclopentyloxy-5-oxaspiro[3.5]nonan-8-amine
CID 83236499
N-(2-cyclopentyloxyethyl)oxan-4-amine
CID 63099341
N-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899028
N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682122
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-[2-(trifluoromethylsulfanyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106429672

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79903516) is N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine is C1CCC(OCCNC2CCOC3(CCC3)C2)C1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is VHQBHXMKPQTEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-5-14(4-1)17-11-9-16-13-6-10-18-15(12-13)7-3-8-15/h13-14,16H,1-12H2.
What are the key properties of N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 253.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79903516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).