[1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine

C11H22N4O2 — CID 105246540

IUPAC[1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCOC(OCC)C(Cc1nccn1C)NN
InChIInChI=1S/C11H22N4O2/c1-4-16-11(17-5-2)9(14-12)8-10-13-6-7-15(10)3/h6-7,9,11,14H,4-5,8,12H2,1-3H3
InChIKeyHODOZSSOPCQCOE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.19
Rot. Bonds8

About [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine

[1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine (PubChem CID 105246540) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine
PubChem CID105246540
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name[1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCOC(OCC)C(Cc1nccn1C)NN
InChIInChI=1S/C11H22N4O2/c1-4-16-11(17-5-2)9(14-12)8-10-13-6-7-15(10)3/h6-7,9,11,14H,4-5,8,12H2,1-3H3
InChIKeyHODOZSSOPCQCOE-UHFFFAOYSA-N
XLogP0.19
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79753127
1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79761416
3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116726057
[1-(2-ethoxyphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105260833
[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
[4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105220503
[4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 103025406
[3-ethoxy-1-(1-ethylimidazol-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105272596
[1-cyclohexyl-1-ethoxy-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105278913
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
CID 62961673
ethyl 2-fluoro-3-(1-methylimidazol-2-yl)propanoate
CID 79738546
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381

Frequently Asked Questions

What is the IUPAC name of [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine (CID 105246540) is [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine is CCOC(OCC)C(Cc1nccn1C)NN.
What is the InChIKey of [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine?
The InChIKey is HODOZSSOPCQCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-4-16-11(17-5-2)9(14-12)8-10-13-6-7-15(10)3/h6-7,9,11,14H,4-5,8,12H2,1-3H3.
What are the key properties of [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine?
[1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine has a molecular weight of 242.32 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105246540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).