1-(oxan-2-yl)oct-7-yn-3-ylhydrazine

C13H24N2O — CID 105333319

IUPAC1-(oxan-2-yl)oct-7-yn-3-ylhydrazine
SMILESC#CCCCC(CCC1CCCCO1)NN
InChIInChI=1S/C13H24N2O/c1-2-3-4-7-12(15-14)9-10-13-8-5-6-11-16-13/h1,12-13,15H,3-11,14H2
InChIKeyIYXWQNYSGNKZJI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.97
Rot. Bonds7

About 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine

1-(oxan-2-yl)oct-7-yn-3-ylhydrazine (PubChem CID 105333319) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine.

Molecular Properties

Compound Name1-(oxan-2-yl)oct-7-yn-3-ylhydrazine
PubChem CID105333319
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(oxan-2-yl)oct-7-yn-3-ylhydrazine
SMILESC#CCCCC(CCC1CCCCO1)NN
InChIInChI=1S/C13H24N2O/c1-2-3-4-7-12(15-14)9-10-13-8-5-6-11-16-13/h1,12-13,15H,3-11,14H2
InChIKeyIYXWQNYSGNKZJI-UHFFFAOYSA-N
XLogP1.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.97
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'}

Analyze 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
1-(oxan-2-yl)oct-7-yn-3-ol
CID 115831796
1,4-bis(oxolan-2-yl)butan-2-ylhydrazine
CID 105198575
[5,5-dimethyl-1-(oxolan-2-yl)hexan-3-yl]hydrazine
CID 105220277
[1-(2-bicyclo[2.2.1]heptanyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
CID 105323482
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
CID 105049432
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870
[1-(oxolan-2-yl)-7-phenylheptan-4-yl]hydrazine
CID 105314154
[1-cycloheptyl-3-(oxolan-2-yl)propyl]hydrazine
CID 105231964
[5-(oxolan-2-yl)-1-propan-2-yloxypentan-2-yl]hydrazine
CID 105314014
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine?
The IUPAC name of 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine (CID 105333319) is 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine.
What is the SMILES notation for 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine?
The canonical SMILES for 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine is C#CCCCC(CCC1CCCCO1)NN.
What is the InChIKey of 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine?
The InChIKey is IYXWQNYSGNKZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-4-7-12(15-14)9-10-13-8-5-6-11-16-13/h1,12-13,15H,3-11,14H2.
What are the key properties of 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine?
1-(oxan-2-yl)oct-7-yn-3-ylhydrazine has a molecular weight of 224.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)oct-7-yn-3-ylhydrazine is sourced from PubChem (CID 105333319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).