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

C14H27NO2 — CID 79895357

IUPACN-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCCOCCNC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-3-9-16-11-8-15-13-5-10-17-14(12-13)6-4-7-14/h13,15H,2-12H2,1H3
InChIKeyGWOCQGPFNJSBNA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds7

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

N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895357) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895357
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCCOCCNC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-3-9-16-11-8-15-13-5-10-17-14(12-13)6-4-7-14/h13,15H,2-12H2,1H3
InChIKeyGWOCQGPFNJSBNA-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
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-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251
N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903516
N-[2-(2-methoxyethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895389
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine
CID 65082535
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol
CID 79904024
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-[2-(2-methylprop-2-enoxy)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114467588

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79895357) is N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine is CCCCOCCNC1CCOC2(CCC2)C1.
What is the InChIKey of N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is GWOCQGPFNJSBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-9-16-11-8-15-13-5-10-17-14(12-13)6-4-7-14/h13,15H,2-12H2,1H3.
What are the key properties of N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 241.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).