(5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine

C16H20N4 — CID 114190781

IUPAC(5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine
SMILESCC(C)(C)C#CCC(NN)c1cccc2nccnc12
InChIInChI=1S/C16H20N4/c1-16(2,3)9-5-8-13(20-17)12-6-4-7-14-15(12)19-11-10-18-14/h4,6-7,10-11,13,20H,8,17H2,1-3H3
InChIKeyWPNVDTOSPSMIDG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.57
Rot. Bonds3

About (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine

(5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine (PubChem CID 114190781) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine.

Molecular Properties

Compound Name(5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine
PubChem CID114190781
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name(5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine
SMILESCC(C)(C)C#CCC(NN)c1cccc2nccnc12
InChIInChI=1S/C16H20N4/c1-16(2,3)9-5-8-13(20-17)12-6-4-7-14-15(12)19-11-10-18-14/h4,6-7,10-11,13,20H,8,17H2,1-3H3
InChIKeyWPNVDTOSPSMIDG-UHFFFAOYSA-N
XLogP2.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190770
(2-pyridin-2-yl-1-quinoxalin-5-ylethyl)hydrazine
CID 105315352
1-quinolin-5-ylpent-3-ynylhydrazine
CID 105290528
[2-(4-chlorophenyl)-1-quinoxalin-5-ylethyl]hydrazine
CID 105283316
N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
CID 105077278
[2-(furan-2-yl)-1-quinoxalin-5-ylethyl]hydrazine
CID 105331577
(1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine
CID 114190757
[2-(1-ethylimidazol-2-yl)-1-quinoxalin-5-ylethyl]hydrazine
CID 105321872
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
4-methoxy-N,4-dimethyl-1-quinoxalin-5-ylpentan-1-amine
CID 103032278
[4-(oxolan-2-yl)-1-quinoxalin-5-ylbutyl]hydrazine
CID 105314120
[(4-methylphenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105285393

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine?
The IUPAC name of (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine (CID 114190781) is (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine.
What is the SMILES notation for (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine?
The canonical SMILES for (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine is CC(C)(C)C#CCC(NN)c1cccc2nccnc12.
What is the InChIKey of (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine?
The InChIKey is WPNVDTOSPSMIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-16(2,3)9-5-8-13(20-17)12-6-4-7-14-15(12)19-11-10-18-14/h4,6-7,10-11,13,20H,8,17H2,1-3H3.
What are the key properties of (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine?
(5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine has a molecular weight of 268.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine is sourced from PubChem (CID 114190781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).