[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine

C17H30N2O — CID 105328014

IUPAC[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine
SMILESCCOc1cccc(C(CC(C)CC(C)(C)C)NN)c1
InChIInChI=1S/C17H30N2O/c1-6-20-15-9-7-8-14(11-15)16(19-18)10-13(2)12-17(3,4)5/h7-9,11,13,16,19H,6,10,12,18H2,1-5H3
InChIKeyKCOJRECBLRDXIF-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.05
Rot. Bonds7

About [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine

[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine (PubChem CID 105328014) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine
PubChem CID105328014
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine
SMILESCCOc1cccc(C(CC(C)CC(C)(C)C)NN)c1
InChIInChI=1S/C17H30N2O/c1-6-20-15-9-7-8-14(11-15)16(19-18)10-13(2)12-17(3,4)5/h7-9,11,13,16,19H,6,10,12,18H2,1-5H3
InChIKeyKCOJRECBLRDXIF-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.05
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

[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine
CID 105341096
[1-(3-ethoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105191999
[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105225968
[1-(3-ethoxyphenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225226
[3-methyl-1-(3-propoxyphenyl)butyl]hydrazine
CID 105282817
[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
CID 105192051
[1-(3-ethoxyphenyl)-3-phenoxypropyl]hydrazine
CID 105191343
[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine
CID 105328109
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
[1-(3-ethoxyphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105192057
[2-(4-bromophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105192046
[1-(3-ethoxyphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105191961

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine?
The IUPAC name of [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine (CID 105328014) is [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine.
What is the SMILES notation for [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine?
The canonical SMILES for [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine is CCOc1cccc(C(CC(C)CC(C)(C)C)NN)c1.
What is the InChIKey of [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine?
The InChIKey is KCOJRECBLRDXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-20-15-9-7-8-14(11-15)16(19-18)10-13(2)12-17(3,4)5/h7-9,11,13,16,19H,6,10,12,18H2,1-5H3.
What are the key properties of [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine?
[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine has a molecular weight of 278.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine is sourced from PubChem (CID 105328014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).