N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine

C14H19NO3 — CID 141372751

IUPACN-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine
SMILESC[C@@H](C1=COC(C)(C)O1)N(O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(13-10-17-14(2,3)18-13)15(16)9-12-7-5-4-6-8-12/h4-8,10-11,16H,9H2,1-3H3/t11-/m0/s1
InChIKeyZCVHXMAXGFWARJ-NSHDSACASA-N
MW249.31 g/mol
LogP2.89
Rot. Bonds4

About N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine

N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine (PubChem CID 141372751) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine
PubChem CID141372751
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine
SMILESC[C@@H](C1=COC(C)(C)O1)N(O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(13-10-17-14(2,3)18-13)15(16)9-12-7-5-4-6-8-12/h4-8,10-11,16H,9H2,1-3H3/t11-/m0/s1
InChIKeyZCVHXMAXGFWARJ-NSHDSACASA-N
XLogP2.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
3-(benzylamino)-2-(2,2-dimethyl-1,3-dioxol-4-yl)propan-1-ol
CID 141202028
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]hydroxylamine
CID 11425957
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine;N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine
CID 158740131
N-benzyl-N-[(1S)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine
CID 101109090
2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole
CID 141089313
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl]hydroxylamine
CID 10980531
N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine
CID 10059288
1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
(2R)-2-[benzyl(hydroxy)amino]-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetonitrile
CID 10501525
2,2-dimethyl-6-[(2R)-1-phenylbutan-2-yl]-1,3-dioxin-4-one
CID 11780245
1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol
CID 101185261

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine?
The IUPAC name of N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine (CID 141372751) is N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine is C[C@@H](C1=COC(C)(C)O1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine?
The InChIKey is ZCVHXMAXGFWARJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(13-10-17-14(2,3)18-13)15(16)9-12-7-5-4-6-8-12/h4-8,10-11,16H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine?
N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine has a molecular weight of 249.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 141372751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).