N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine

C18H27NO2 — CID 79899028

IUPACN-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESc1ccc(OCCNC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c1-3-7-17(8-4-1)20-14-12-19-16-9-13-21-18(15-16)10-5-2-6-11-18/h1,3-4,7-8,16,19H,2,5-6,9-15H2
InChIKeyBIXLJGZOPCZAAP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.54
Rot. Bonds5

About N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine

N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79899028) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79899028
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESc1ccc(OCCNC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c1-3-7-17(8-4-1)20-14-12-19-16-9-13-21-18(15-16)10-5-2-6-11-18/h1,3-4,7-8,16,19H,2,5-6,9-15H2
InChIKeyBIXLJGZOPCZAAP-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.54
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

1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-(4-phenoxybutyl)urea
CID 98559377
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426
1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 71915144
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
CID 124754927
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903516
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
CID 79921809

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79899028) is N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine is c1ccc(OCCNC2CCOC3(CCCCC3)C2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is BIXLJGZOPCZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-7-17(8-4-1)20-14-12-19-16-9-13-21-18(15-16)10-5-2-6-11-18/h1,3-4,7-8,16,19H,2,5-6,9-15H2.
What are the key properties of N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79899028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).