1-(oxan-4-yl)hex-4-ynylhydrazine

C11H20N2O — CID 105229710

IUPAC1-(oxan-4-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1CCOCC1
InChIInChI=1S/C11H20N2O/c1-2-3-4-5-11(13-12)10-6-8-14-9-7-10/h10-11,13H,4-9,12H2,1H3
InChIKeyATZMDADQXJTLEB-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.05
Rot. Bonds4

About 1-(oxan-4-yl)hex-4-ynylhydrazine

1-(oxan-4-yl)hex-4-ynylhydrazine (PubChem CID 105229710) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(oxan-4-yl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(oxan-4-yl)hex-4-ynylhydrazine
PubChem CID105229710
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(oxan-4-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1CCOCC1
InChIInChI=1S/C11H20N2O/c1-2-3-4-5-11(13-12)10-6-8-14-9-7-10/h10-11,13H,4-9,12H2,1H3
InChIKeyATZMDADQXJTLEB-UHFFFAOYSA-N
XLogP1.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.05
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(oxan-4-yl)pent-4-ynylhydrazine
CID 105229653
1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine
CID 105232751
1-(6-bicyclo[3.1.0]hexanyl)hex-4-ynylhydrazine
CID 105335051
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine
CID 105266785
1-cyclobutyl-N-ethylhex-4-yn-1-amine
CID 104805822
2-cyclopropyloct-6-yn-3-ylhydrazine
CID 105334946
[1-(oxan-4-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105229624
N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine
CID 104806072
[1-(oxan-4-yl)-2-propoxyethyl]hydrazine
CID 105209961
(3-methyl-3-morpholin-4-ylnon-7-yn-4-yl)hydrazine
CID 105241552
N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
CID 65330413

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)hex-4-ynylhydrazine?
The IUPAC name of 1-(oxan-4-yl)hex-4-ynylhydrazine (CID 105229710) is 1-(oxan-4-yl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(oxan-4-yl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(oxan-4-yl)hex-4-ynylhydrazine is CC#CCCC(NN)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)hex-4-ynylhydrazine?
The InChIKey is ATZMDADQXJTLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-4-5-11(13-12)10-6-8-14-9-7-10/h10-11,13H,4-9,12H2,1H3.
What are the key properties of 1-(oxan-4-yl)hex-4-ynylhydrazine?
1-(oxan-4-yl)hex-4-ynylhydrazine has a molecular weight of 196.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)hex-4-ynylhydrazine is sourced from PubChem (CID 105229710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).