(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine

C13H16N2O — CID 141340665

IUPAC(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine
SMILESO/N=C1/CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C13H16N2O/c16-14-12-9-15(10-13(12)6-7-13)8-11-4-2-1-3-5-11/h1-5,16H,6-10H2/b14-12-
InChIKeyQSXUNTHVKDZJOI-OWBHPGMISA-N
MW216.28 g/mol
LogP2.11
Rot. Bonds2

About (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine

(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine (PubChem CID 141340665) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine
PubChem CID141340665
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine
SMILESO/N=C1/CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C13H16N2O/c16-14-12-9-15(10-13(12)6-7-13)8-11-4-2-1-3-5-11/h1-5,16H,6-10H2/b14-12-
InChIKeyQSXUNTHVKDZJOI-OWBHPGMISA-N
XLogP2.11
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine
CID 10401981
(6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one
CID 135594368
1-benzyl-N-oxidoazetidin-3-imine
CID 39843484
(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
CID 55027612
(8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one
CID 10681742
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819
(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine
CID 123311367
(NZ)-N-(1'-benzylspiro[3H-indene-2,4'-piperidine]-1-ylidene)hydroxylamine
CID 135369336
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine (CID 141340665) is (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine is O/N=C1/CN(Cc2ccccc2)CC12CC2.
What is the InChIKey of (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine?
The InChIKey is QSXUNTHVKDZJOI-OWBHPGMISA-N. The full InChI is InChI=1S/C13H16N2O/c16-14-12-9-15(10-13(12)6-7-13)8-11-4-2-1-3-5-11/h1-5,16H,6-10H2/b14-12-.
What are the key properties of (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine?
(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine has a molecular weight of 216.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine is sourced from PubChem (CID 141340665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).