1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine

C13H19N3 — CID 105266423

IUPAC1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1ncc(C)cc1C
InChIInChI=1S/C13H19N3/c1-4-5-6-7-12(16-14)13-11(3)8-10(2)9-15-13/h1,8-9,12,16H,5-7,14H2,2-3H3
InChIKeyDJSRGFWXJWMZMH-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.01
Rot. Bonds5

About 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine

1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine (PubChem CID 105266423) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine
PubChem CID105266423
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1ncc(C)cc1C
InChIInChI=1S/C13H19N3/c1-4-5-6-7-12(16-14)13-11(3)8-10(2)9-15-13/h1,8-9,12,16H,5-7,14H2,2-3H3
InChIKeyDJSRGFWXJWMZMH-UHFFFAOYSA-N
XLogP2.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-cyclopropyl-1-(3,5-dimethyl-2-pyridinyl)propyl]hydrazine
CID 105266457
1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine
CID 105333477
1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine
CID 105333345
[1-(3,5-dimethyl-2-pyridinyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105266326
N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine
CID 105033708
[1-(3,5-dimethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105266265
[1-(3,5-dimethyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105266557
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine
CID 105333462
[1-(3,5-dimethyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066382
[2-(2-chloro-6-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 105266266
1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009639

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine (CID 105266423) is 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine is C#CCCCC(NN)c1ncc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine?
The InChIKey is DJSRGFWXJWMZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-5-6-7-12(16-14)13-11(3)8-10(2)9-15-13/h1,8-9,12,16H,5-7,14H2,2-3H3.
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine?
1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine has a molecular weight of 217.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine is sourced from PubChem (CID 105266423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).