[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine

C16H28N2O3 — CID 105331209

IUPAC[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine
SMILESCOc1cc(C(CCCC(C)C)NN)cc(OC)c1OC
InChIInChI=1S/C16H28N2O3/c1-11(2)7-6-8-13(18-17)12-9-14(19-3)16(21-5)15(10-12)20-4/h9-11,13,18H,6-8,17H2,1-5H3
InChIKeyPIUSFNVYYYKQII-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.04
Rot. Bonds9

About [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine

[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine (PubChem CID 105331209) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine.

Molecular Properties

Compound Name[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine
PubChem CID105331209
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine
SMILESCOc1cc(C(CCCC(C)C)NN)cc(OC)c1OC
InChIInChI=1S/C16H28N2O3/c1-11(2)7-6-8-13(18-17)12-9-14(19-3)16(21-5)15(10-12)20-4/h9-11,13,18H,6-8,17H2,1-5H3
InChIKeyPIUSFNVYYYKQII-UHFFFAOYSA-N
XLogP3.04
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine
CID 105313821
[5-methyl-1-(2,4,5-trimethoxyphenyl)hexyl]hydrazine
CID 105331230
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
[3-ethyl-1-(3,4,5-trimethoxyphenyl)pentyl]hydrazine
CID 105330965
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
[1-(3-methoxy-4-methylphenyl)-4-methylpentyl]hydrazine
CID 105294130
[1-(3-methoxythiophen-2-yl)-5-methylhexyl]hydrazine
CID 105331419
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82711410
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
CID 105235527

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine?
The IUPAC name of [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine (CID 105331209) is [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine.
What is the SMILES notation for [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine?
The canonical SMILES for [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine is COc1cc(C(CCCC(C)C)NN)cc(OC)c1OC.
What is the InChIKey of [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine?
The InChIKey is PIUSFNVYYYKQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)7-6-8-13(18-17)12-9-14(19-3)16(21-5)15(10-12)20-4/h9-11,13,18H,6-8,17H2,1-5H3.
What are the key properties of [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine?
[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine has a molecular weight of 296.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine is sourced from PubChem (CID 105331209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).