[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine

C16H27ClN2 — CID 106868573

IUPAC[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCc1ccc(CC(CC(C)C(C)(C)C)NN)c(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-11-6-7-13(15(17)8-11)10-14(19-18)9-12(2)16(3,4)5/h6-8,12,14,19H,9-10,18H2,1-5H3
InChIKeyGRKHCSVTEPBZCU-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.10
Rot. Bonds5

About [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine

[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine (PubChem CID 106868573) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
PubChem CID106868573
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCc1ccc(CC(CC(C)C(C)(C)C)NN)c(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-11-6-7-13(15(17)8-11)10-14(19-18)9-12(2)16(3,4)5/h6-8,12,14,19H,9-10,18H2,1-5H3
InChIKeyGRKHCSVTEPBZCU-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.10
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-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 106871466
[1-(2-chloro-4-methylphenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 106868502
[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105296073
[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105297648
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
[1-(2,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105199055
[1-(2-chloro-4-methylphenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 106871494
[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106868583
N-tert-butyl-2-[(2-chloro-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 106869454

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine (CID 106868573) is [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine is Cc1ccc(CC(CC(C)C(C)(C)C)NN)c(Cl)c1.
What is the InChIKey of [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The InChIKey is GRKHCSVTEPBZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-11-6-7-13(15(17)8-11)10-14(19-18)9-12(2)16(3,4)5/h6-8,12,14,19H,9-10,18H2,1-5H3.
What are the key properties of [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine has a molecular weight of 282.86 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine is sourced from PubChem (CID 106868573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).