1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine

C9H18N2O — CID 105281625

IUPAC1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine
SMILESC#CCC(COC(C)(C)C)NN
InChIInChI=1S/C9H18N2O/c1-5-6-8(11-10)7-12-9(2,3)4/h1,8,11H,6-7,10H2,2-4H3
InChIKeyRHHATXPYNRCVRX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.66
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine

1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine (PubChem CID 105281625) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine
PubChem CID105281625
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine
SMILESC#CCC(COC(C)(C)C)NN
InChIInChI=1S/C9H18N2O/c1-5-6-8(11-10)7-12-9(2,3)4/h1,8,11H,6-7,10H2,2-4H3
InChIKeyRHHATXPYNRCVRX-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.66
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-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine
CID 105308012
1-propoxypent-4-yn-2-ylhydrazine
CID 105210039
[1-ethoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105321343
N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine
CID 105179503
4-[(2-methylpropan-2-yl)oxymethyl]octa-1,6-diyne
CID 166766635
[1-(4-tert-butylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105296584
[5-ethylsulfonyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]hydrazine
CID 105310977
(5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine
CID 105274802
[1-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105285289
(5-methoxy-5-methylhept-1-yn-4-yl)hydrazine
CID 105274464
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724
[1-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105289511

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine (CID 105281625) is 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine is C#CCC(COC(C)(C)C)NN.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine?
The InChIKey is RHHATXPYNRCVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-8(11-10)7-12-9(2,3)4/h1,8,11H,6-7,10H2,2-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine?
1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine has a molecular weight of 170.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]pent-4-yn-2-ylhydrazine is sourced from PubChem (CID 105281625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).