[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine

C17H28N2O — CID 103435988

IUPAC[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
SMILESCOc1c(C(NN)C2CCCCCC2)ccc(C)c1C
InChIInChI=1S/C17H28N2O/c1-12-10-11-15(17(20-3)13(12)2)16(19-18)14-8-6-4-5-7-9-14/h10-11,14,16,19H,4-9,18H2,1-3H3
InChIKeyXNXOTKZPKZITIM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.79
Rot. Bonds4

About [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine

[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine (PubChem CID 103435988) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
PubChem CID103435988
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
SMILESCOc1c(C(NN)C2CCCCCC2)ccc(C)c1C
InChIInChI=1S/C17H28N2O/c1-12-10-11-15(17(20-3)13(12)2)16(19-18)14-8-6-4-5-7-9-14/h10-11,14,16,19H,4-9,18H2,1-3H3
InChIKeyXNXOTKZPKZITIM-UHFFFAOYSA-N
XLogP3.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380
[(3-ethylcyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435992
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
[cyclooctyl-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516472
[cyclohexyl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105201807
[cyclooctyl-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105255236
[cyclooctyl-(2-methylphenyl)methyl]hydrazine
CID 105254975
[cyclohexyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105281985
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589052
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
[(2-methoxy-3,4-dimethylphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 103436070
N-[(2-methoxy-3,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 103433620

Frequently Asked Questions

What is the IUPAC name of [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine (CID 103435988) is [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine is COc1c(C(NN)C2CCCCCC2)ccc(C)c1C.
What is the InChIKey of [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The InChIKey is XNXOTKZPKZITIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-10-11-15(17(20-3)13(12)2)16(19-18)14-8-6-4-5-7-9-14/h10-11,14,16,19H,4-9,18H2,1-3H3.
What are the key properties of [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine has a molecular weight of 276.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 103435988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).