[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine

C13H21ClN2 — CID 105194822

IUPAC[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine
SMILESCCC(CC)C(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C13H21ClN2/c1-3-11(4-2)13(16-15)9-10-6-5-7-12(14)8-10/h5-8,11,13,16H,3-4,9,15H2,1-2H3
InChIKeyVTBFDQKOLYDZOK-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.15
Rot. Bonds6

About [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine

[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine (PubChem CID 105194822) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine
PubChem CID105194822
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine
SMILESCCC(CC)C(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C13H21ClN2/c1-3-11(4-2)13(16-15)9-10-6-5-7-12(14)8-10/h5-8,11,13,16H,3-4,9,15H2,1-2H3
InChIKeyVTBFDQKOLYDZOK-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.15
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-(3-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271215
[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247122
1-chloro-3-(3-chloro-2-ethylbutyl)benzene
CID 63460008
[3-(3-chlorophenyl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279369
[1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine
CID 105195012
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
[2-(3-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethyl]hydrazine
CID 105195073
[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105227316
[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283445
[4-ethyl-1-(3-methylphenyl)hexan-3-yl]hydrazine
CID 105324156
[1-(3-chlorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105283444
1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine (CID 105194822) is [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine is CCC(CC)C(Cc1cccc(Cl)c1)NN.
What is the InChIKey of [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine?
The InChIKey is VTBFDQKOLYDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-11(4-2)13(16-15)9-10-6-5-7-12(14)8-10/h5-8,11,13,16H,3-4,9,15H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine?
[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine has a molecular weight of 240.78 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine is sourced from PubChem (CID 105194822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).