[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine

C16H28N2 — CID 105331170

IUPAC[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine
SMILESCCC(CC)CC(Cc1cc(C)ccc1C)NN
InChIInChI=1S/C16H28N2/c1-5-14(6-2)10-16(18-17)11-15-9-12(3)7-8-13(15)4/h7-9,14,16,18H,5-6,10-11,17H2,1-4H3
InChIKeyJLLDMYWGRGHFIG-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.50
Rot. Bonds7

About [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine

[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine (PubChem CID 105331170) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine
PubChem CID105331170
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine
SMILESCCC(CC)CC(Cc1cc(C)ccc1C)NN
InChIInChI=1S/C16H28N2/c1-5-14(6-2)10-16(18-17)11-15-9-12(3)7-8-13(15)4/h7-9,14,16,18H,5-6,10-11,17H2,1-4H3
InChIKeyJLLDMYWGRGHFIG-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206860
[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205901
[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105297115
[4-methyl-1-(2-methylphenyl)hexan-2-yl]hydrazine
CID 105208422
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
[1-(2,5-dimethylphenyl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105315883
[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105287766
[4-ethyl-1-(2-methoxyphenyl)hexan-2-yl]hydrazine
CID 105205098
[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105235891
(4-ethyl-1-phenylhexan-2-yl)hydrazine
CID 105195385
1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine?
The IUPAC name of [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine (CID 105331170) is [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine is CCC(CC)CC(Cc1cc(C)ccc1C)NN.
What is the InChIKey of [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine?
The InChIKey is JLLDMYWGRGHFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-14(6-2)10-16(18-17)11-15-9-12(3)7-8-13(15)4/h7-9,14,16,18H,5-6,10-11,17H2,1-4H3.
What are the key properties of [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine?
[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine has a molecular weight of 248.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine is sourced from PubChem (CID 105331170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).