[3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine

C18H32N2O — CID 105334357

IUPAC[3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine
SMILESCCCOc1ccccc1C(CC(C)CC(C)(C)C)NN
InChIInChI=1S/C18H32N2O/c1-6-11-21-17-10-8-7-9-15(17)16(20-19)12-14(2)13-18(3,4)5/h7-10,14,16,20H,6,11-13,19H2,1-5H3
InChIKeyIXXFKHSWDCEZMS-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.44
Rot. Bonds8

About [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine

[3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine (PubChem CID 105334357) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine.

Molecular Properties

Compound Name[3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine
PubChem CID105334357
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name[3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine
SMILESCCCOc1ccccc1C(CC(C)CC(C)(C)C)NN
InChIInChI=1S/C18H32N2O/c1-6-11-21-17-10-8-7-9-15(17)16(20-19)12-14(2)13-18(3,4)5/h7-10,14,16,20H,6,11-13,19H2,1-5H3
InChIKeyIXXFKHSWDCEZMS-UHFFFAOYSA-N
XLogP4.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.44
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-(2-propoxyphenyl)octylhydrazine
CID 105334374
[2-(4-fluorophenyl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198245
[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine
CID 105328014
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
[2-(3-methylphenyl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105208882
[2-(1-methoxycyclobutyl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 103560591
[1-(2-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105304469
1-(3-chlorobutan-2-yl)-2-propoxybenzene
CID 104662450
[2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198546
1-(2-propoxyphenyl)ethanol
CID 43503976
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806

Frequently Asked Questions

What is the IUPAC name of [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine?
The IUPAC name of [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine (CID 105334357) is [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine.
What is the SMILES notation for [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine?
The canonical SMILES for [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine is CCCOc1ccccc1C(CC(C)CC(C)(C)C)NN.
What is the InChIKey of [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine?
The InChIKey is IXXFKHSWDCEZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-11-21-17-10-8-7-9-15(17)16(20-19)12-14(2)13-18(3,4)5/h7-10,14,16,20H,6,11-13,19H2,1-5H3.
What are the key properties of [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine?
[3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine has a molecular weight of 292.47 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine is sourced from PubChem (CID 105334357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).