[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine

C17H27N3O — CID 105245013

IUPAC[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
SMILESCc1ccc(C)c(CC(NN)C2CN3CCCC3CO2)c1
InChIInChI=1S/C17H27N3O/c1-12-5-6-13(2)14(8-12)9-16(19-18)17-10-20-7-3-4-15(20)11-21-17/h5-6,8,15-17,19H,3-4,7,9-11,18H2,1-2H3
InChIKeyUKABEOYVWJXCCO-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.54
Rot. Bonds4

About [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine

[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine (PubChem CID 105245013) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
PubChem CID105245013
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
SMILESCc1ccc(C)c(CC(NN)C2CN3CCCC3CO2)c1
InChIInChI=1S/C17H27N3O/c1-12-5-6-13(2)14(8-12)9-16(19-18)17-10-20-7-3-4-15(20)11-21-17/h5-6,8,15-17,19H,3-4,7,9-11,18H2,1-2H3
InChIKeyUKABEOYVWJXCCO-UHFFFAOYSA-N
XLogP1.54
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105245097
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105245088
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propylhydrazine
CID 105245091
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107895187
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105245028
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethyl]hydrazine
CID 105245107
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 79095857
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105245121
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-phenylbutyl]hydrazine
CID 105244974
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylpentyl]hydrazine
CID 105245137
[1-cyclobutyl-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105224346

Frequently Asked Questions

What is the IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine (CID 105245013) is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine is Cc1ccc(C)c(CC(NN)C2CN3CCCC3CO2)c1.
What is the InChIKey of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine?
The InChIKey is UKABEOYVWJXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-5-6-13(2)14(8-12)9-16(19-18)17-10-20-7-3-4-15(20)11-21-17/h5-6,8,15-17,19H,3-4,7,9-11,18H2,1-2H3.
What are the key properties of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine?
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine has a molecular weight of 289.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105245013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).