[1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine

C13H21ClN2 — CID 105195012

IUPAC[1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine
SMILESCCC(C)CC(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C13H21ClN2/c1-3-10(2)7-13(16-15)9-11-5-4-6-12(14)8-11/h4-6,8,10,13,16H,3,7,9,15H2,1-2H3
InChIKeyMAROWPUQZQDXAS-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.15
Rot. Bonds6

About [1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine

[1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine (PubChem CID 105195012) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine
PubChem CID105195012
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name[1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine
SMILESCCC(C)CC(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C13H21ClN2/c1-3-10(2)7-13(16-15)9-11-5-4-6-12(14)8-11/h4-6,8,10,13,16H,3,7,9,15H2,1-2H3
InChIKeyMAROWPUQZQDXAS-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)-N,4-dimethylhexan-2-amine
CID 62600516
(4-methyl-1-phenylhexan-2-yl)hydrazine
CID 105195322
[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105227316
1-chloro-3-[2-(chloromethyl)-4-methylhexyl]benzene
CID 66048800
[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105194822
[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283445
[1-(3-chlorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105283444
1-butan-2-yl-4-[1-chloro-2-(3-chlorophenyl)ethyl]benzene
CID 63429914
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247122
[1-(3-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237759

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine (CID 105195012) is [1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine is CCC(C)CC(Cc1cccc(Cl)c1)NN.
What is the InChIKey of [1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine?
The InChIKey is MAROWPUQZQDXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-10(2)7-13(16-15)9-11-5-4-6-12(14)8-11/h4-6,8,10,13,16H,3,7,9,15H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine?
[1-(3-chlorophenyl)-4-methylhexan-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)-4-methylhexan-2-yl]hydrazine is sourced from PubChem (CID 105195012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).