[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine

C13H26N4O — CID 105274225

IUPAC[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
SMILESCCCn1ccnc1CC(NN)C(C)(C)OCC
InChIInChI=1S/C13H26N4O/c1-5-8-17-9-7-15-12(17)10-11(16-14)13(3,4)18-6-2/h7,9,11,16H,5-6,8,10,14H2,1-4H3
InChIKeyKYMROACZGMARQO-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.48
Rot. Bonds8

About [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine

[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine (PubChem CID 105274225) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
PubChem CID105274225
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
SMILESCCCn1ccnc1CC(NN)C(C)(C)OCC
InChIInChI=1S/C13H26N4O/c1-5-8-17-9-7-15-12(17)10-11(16-14)13(3,4)18-6-2/h7,9,11,16H,5-6,8,10,14H2,1-4H3
InChIKeyKYMROACZGMARQO-UHFFFAOYSA-N
XLogP1.48
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
[3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylpentan-2-yl]hydrazine
CID 105274938
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
[3-methyl-3-morpholin-4-yl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105240220
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116761173
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
[3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105323296
[1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105323452
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine (CID 105274225) is [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine is CCCn1ccnc1CC(NN)C(C)(C)OCC.
What is the InChIKey of [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine?
The InChIKey is KYMROACZGMARQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-8-17-9-7-15-12(17)10-11(16-14)13(3,4)18-6-2/h7,9,11,16H,5-6,8,10,14H2,1-4H3.
What are the key properties of [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine?
[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine has a molecular weight of 254.38 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105274225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).