N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine

C14H20N2O3 — CID 12965960

IUPACN-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine
SMILESONCc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H20N2O3/c17-15-11-12-1-3-13(4-2-12)16-7-5-14(6-8-16)18-9-10-19-14/h1-4,15,17H,5-11H2
InChIKeyUNQDDDXIXOQVBK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.51
Rot. Bonds3

About N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine

N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine (PubChem CID 12965960) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine
PubChem CID12965960
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine
SMILESONCc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H20N2O3/c17-15-11-12-1-3-13(4-2-12)16-7-5-14(6-8-16)18-9-10-19-14/h1-4,15,17H,5-11H2
InChIKeyUNQDDDXIXOQVBK-UHFFFAOYSA-N
XLogP1.51
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propane-1,3-dione
CID 22220588
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine
CID 166062184
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-piperidin-1-ylphenyl)ethanone
CID 110648813
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-piperidin-1-ylphenyl)propan-1-one
CID 110648815
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190371
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol
CID 81103568
1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine
CID 59541880
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
CID 112984216
3-[(4-chlorophenyl)methylamino]-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile
CID 171772692

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine (CID 12965960) is N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine is ONCc1ccc(N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine?
The InChIKey is UNQDDDXIXOQVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-15-11-12-1-3-13(4-2-12)16-7-5-14(6-8-16)18-9-10-19-14/h1-4,15,17H,5-11H2.
What are the key properties of N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine?
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine has a molecular weight of 264.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 12965960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).