5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline

C12H20ClN3 — CID 105224018

IUPAC5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline
SMILESCC(C)CCC(NN)c1ccc(Cl)cc1N
InChIInChI=1S/C12H20ClN3/c1-8(2)3-6-12(16-15)10-5-4-9(13)7-11(10)14/h4-5,7-8,12,16H,3,6,14-15H2,1-2H3
InChIKeyQRYMXEXYQINSJC-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.86
Rot. Bonds5

About 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline

5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline (PubChem CID 105224018) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline
PubChem CID105224018
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline
SMILESCC(C)CCC(NN)c1ccc(Cl)cc1N
InChIInChI=1S/C12H20ClN3/c1-8(2)3-6-12(16-15)10-5-4-9(13)7-11(10)14/h4-5,7-8,12,16H,3,6,14-15H2,1-2H3
InChIKeyQRYMXEXYQINSJC-UHFFFAOYSA-N
XLogP2.86
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,5-dichlorophenyl)-4-methylpentyl]hydrazine
CID 105207581
5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline
CID 105224234
[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105207718
[1-(2-chloro-4-fluorophenyl)-4-methylpentyl]hydrazine
CID 105215256
5-chloro-2-[2-(2,5-dichlorophenyl)-1-hydrazinylethyl]aniline
CID 105224259
5-chloro-2-(3-ethyl-1-hydrazinylheptyl)aniline
CID 105224098
5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline
CID 105224215
5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline
CID 107066106
5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
CID 114225964
3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
CID 105453264
5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline
CID 114225965
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline?
The IUPAC name of 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline (CID 105224018) is 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline.
What is the SMILES notation for 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline?
The canonical SMILES for 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline is CC(C)CCC(NN)c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline?
The InChIKey is QRYMXEXYQINSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-8(2)3-6-12(16-15)10-5-4-9(13)7-11(10)14/h4-5,7-8,12,16H,3,6,14-15H2,1-2H3.
What are the key properties of 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline?
5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline has a molecular weight of 241.77 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline is sourced from PubChem (CID 105224018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).