[1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine

C12H18ClIN2 — CID 103217398

IUPAC[1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H18ClIN2/c1-3-8(2)6-12(16-15)9-4-5-11(14)10(13)7-9/h4-5,7-8,12,16H,3,6,15H2,1-2H3
InChIKeyXMUKSTLHNGMASP-UHFFFAOYSA-N
MW352.65 g/mol
LogP3.89
Rot. Bonds5

About [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine

[1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine (PubChem CID 103217398) has the molecular formula C12H18ClIN2 and a molecular weight of 352.65 g/mol. Its IUPAC name is [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine
PubChem CID103217398
Molecular FormulaC12H18ClIN2
Molecular Weight352.65 g/mol
Exact Mass352.02
IUPAC Name[1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H18ClIN2/c1-3-8(2)6-12(16-15)9-4-5-11(14)10(13)7-9/h4-5,7-8,12,16H,3,6,15H2,1-2H3
InChIKeyXMUKSTLHNGMASP-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.65
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-chloro-4-iodophenyl)-4-methylpentyl]hydrazine
CID 103217356
[1-(2-chloro-4-pyridinyl)-3-methylpentyl]hydrazine
CID 105252813
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
CID 103214498
[1-(3-chloro-4-methylphenyl)-3-ethylpentyl]hydrazine
CID 105331071
[2-(4-bromophenyl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine
CID 103217259
[3-methyl-1-(4-phenylphenyl)pentyl]hydrazine
CID 105310511
[1-(3-chloro-4-iodophenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 103217826
[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine
CID 105298627
[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 103217368
[3-methyl-1-[3-(2-methylpropyl)phenyl]pentyl]hydrazine
CID 105340703
[(3-chloro-4-iodophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 103217225

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine (CID 103217398) is [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine is CCC(C)CC(NN)c1ccc(I)c(Cl)c1.
What is the InChIKey of [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine?
The InChIKey is XMUKSTLHNGMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClIN2/c1-3-8(2)6-12(16-15)9-4-5-11(14)10(13)7-9/h4-5,7-8,12,16H,3,6,15H2,1-2H3.
What are the key properties of [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine?
[1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine has a molecular weight of 352.65 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-iodophenyl)-3-methylpentyl]hydrazine is sourced from PubChem (CID 103217398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).