[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine

C17H23N3 — CID 105287766

IUPAC[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(CCc2cccnc2)NN)c1
InChIInChI=1S/C17H23N3/c1-13-5-6-14(2)16(10-13)11-17(20-18)8-7-15-4-3-9-19-12-15/h3-6,9-10,12,17,20H,7-8,11,18H2,1-2H3
InChIKeyPUNRQEBIBNNOLD-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.71
Rot. Bonds6

About [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine

[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine (PubChem CID 105287766) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
PubChem CID105287766
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(CCc2cccnc2)NN)c1
InChIInChI=1S/C17H23N3/c1-13-5-6-14(2)16(10-13)11-17(20-18)8-7-15-4-3-9-19-12-15/h3-6,9-10,12,17,20H,7-8,11,18H2,1-2H3
InChIKeyPUNRQEBIBNNOLD-UHFFFAOYSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,5-dichlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105309892
[1-(2-chloro-4-methylphenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 106868440
[1-(4-bromo-2-chlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105335245
[1-(4-chloro-2-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105342751
[1-(5-fluoro-2-methylphenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105378069
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpropan-2-ol
CID 62552066
[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105296709
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
(6-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 105294256
[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine
CID 106868466
[1-(2,6-difluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105342897
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine (CID 105287766) is [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine is Cc1ccc(C)c(CC(CCc2cccnc2)NN)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
The InChIKey is PUNRQEBIBNNOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-5-6-14(2)16(10-13)11-17(20-18)8-7-15-4-3-9-19-12-15/h3-6,9-10,12,17,20H,7-8,11,18H2,1-2H3.
What are the key properties of [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine has a molecular weight of 269.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105287766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).