N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine

C13H18N2O2 — CID 124748373

IUPACN-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
SMILESCC(=NO)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H18N2O2/c1-11(14-16)13-10-15(7-8-17-13)9-12-5-3-2-4-6-12/h2-6,13,16H,7-10H2,1H3/t13-/m0/s1
InChIKeyXHJCYRIQWZMLHM-ZDUSSCGKSA-N
MW234.30 g/mol
LogP1.74
Rot. Bonds3

About N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine

N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine (PubChem CID 124748373) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
PubChem CID124748373
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
SMILESCC(=NO)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H18N2O2/c1-11(14-16)13-10-15(7-8-17-13)9-12-5-3-2-4-6-12/h2-6,13,16H,7-10H2,1H3/t13-/m0/s1
InChIKeyXHJCYRIQWZMLHM-ZDUSSCGKSA-N
XLogP1.74
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one
CID 59789274
N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
CID 79681239

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine (CID 124748373) is N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine is CC(=NO)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine?
The InChIKey is XHJCYRIQWZMLHM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11(14-16)13-10-15(7-8-17-13)9-12-5-3-2-4-6-12/h2-6,13,16H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine?
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine has a molecular weight of 234.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 124748373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).