[(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine

C16H25ClN2 — CID 105313068

IUPAC[(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
SMILESCCC1CCC(C(NN)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C16H25ClN2/c1-3-12-5-8-13(9-6-12)16(19-18)14-7-4-11(2)15(17)10-14/h4,7,10,12-13,16,19H,3,5-6,8-9,18H2,1-2H3
InChIKeyBQTPGBUIBYJGPM-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.37
Rot. Bonds4

About [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine

[(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine (PubChem CID 105313068) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
PubChem CID105313068
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name[(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
SMILESCCC1CCC(C(NN)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C16H25ClN2/c1-3-12-5-8-13(9-6-12)16(19-18)14-7-4-11(2)15(17)10-14/h4,7,10,12-13,16,19H,3,5-6,8-9,18H2,1-2H3
InChIKeyBQTPGBUIBYJGPM-UHFFFAOYSA-N
XLogP4.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine (CID 105313068) is [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine is CCC1CCC(C(NN)c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine?
The InChIKey is BQTPGBUIBYJGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-12-5-8-13(9-6-12)16(19-18)14-7-4-11(2)15(17)10-14/h4,7,10,12-13,16,19H,3,5-6,8-9,18H2,1-2H3.
What are the key properties of [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine?
[(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine has a molecular weight of 280.84 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105313068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).