N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine

C15H20N2O3 — CID 133377777

IUPACN-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESO=[N+]([O-])c1ccccc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H20N2O3/c18-17(19)14-6-2-1-5-13(14)16-12-7-10-20-15(11-12)8-3-4-9-15/h1-2,5-6,12,16H,3-4,7-11H2
InChIKeyDCFKKIQZDOSPJB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.50
Rot. Bonds3

About N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine

N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 133377777) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID133377777
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESO=[N+]([O-])c1ccccc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H20N2O3/c18-17(19)14-6-2-1-5-13(14)16-12-7-10-20-15(11-12)8-3-4-9-15/h1-2,5-6,12,16H,3-4,7-11H2
InChIKeyDCFKKIQZDOSPJB-UHFFFAOYSA-N
XLogP3.50
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377759
N-(2,4-dinitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133378052
N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377810
N-(4-nitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133377935
N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684
N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
CID 79901355
1-[(2-nitrophenyl)methyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124611037
N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897852
2-N,2-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,2-diamine
CID 106759893
N-(3-ethoxy-4-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377605
methyl 2-nitro-5-(6-oxaspiro[4.5]decan-9-ylamino)benzoate
CID 133377630
3-nitro-N-[(5S,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyridin-4-amine
CID 97324835

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine (CID 133377777) is N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine is O=[N+]([O-])c1ccccc1NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is DCFKKIQZDOSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-17(19)14-6-2-1-5-13(14)16-12-7-10-20-15(11-12)8-3-4-9-15/h1-2,5-6,12,16H,3-4,7-11H2.
What are the key properties of N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 276.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 133377777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).