[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine

C12H18Cl2N2 — CID 105210893

IUPAC[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)C(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C12H18Cl2N2/c1-3-8(2)12(16-15)7-9-4-5-10(13)11(14)6-9/h4-6,8,12,16H,3,7,15H2,1-2H3
InChIKeyXQEYTPXPBYLFLE-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.41
Rot. Bonds5

About [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine

[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine (PubChem CID 105210893) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
PubChem CID105210893
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)C(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C12H18Cl2N2/c1-3-8(2)12(16-15)7-9-4-5-10(13)11(14)6-9/h4-6,8,12,16H,3,7,15H2,1-2H3
InChIKeyXQEYTPXPBYLFLE-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.41
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-(3,4-dimethylphenyl)-3-methylpentan-2-yl]hydrazine
CID 105215198
[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219724
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105225978
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736
[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198848
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105210859

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine (CID 105210893) is [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine is CCC(C)C(Cc1ccc(Cl)c(Cl)c1)NN.
What is the InChIKey of [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine?
The InChIKey is XQEYTPXPBYLFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-3-8(2)12(16-15)7-9-4-5-10(13)11(14)6-9/h4-6,8,12,16H,3,7,15H2,1-2H3.
What are the key properties of [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine?
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine has a molecular weight of 261.20 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 105210893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).