(E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine

C15H25N3O — CID 135569083

IUPAC(E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine
SMILESCCCCc1n[nH]c2c1/C(=N/OCC)CC(C)(C)C2
InChIInChI=1S/C15H25N3O/c1-5-7-8-11-14-12(17-16-11)9-15(3,4)10-13(14)18-19-6-2/h5-10H2,1-4H3,(H,16,17)/b18-13+
InChIKeyRUAGZIRSRAUNQH-QGOAFFKASA-N
MW263.38 g/mol
LogP3.47
Rot. Bonds5

About (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine

(E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine (PubChem CID 135569083) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine.

Molecular Properties

Compound Name(E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine
PubChem CID135569083
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine
SMILESCCCCc1n[nH]c2c1/C(=N/OCC)CC(C)(C)C2
InChIInChI=1S/C15H25N3O/c1-5-7-8-11-14-12(17-16-11)9-15(3,4)10-13(14)18-19-6-2/h5-10H2,1-4H3,(H,16,17)/b18-13+
InChIKeyRUAGZIRSRAUNQH-QGOAFFKASA-N
XLogP3.47
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine?
The IUPAC name of (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine (CID 135569083) is (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine.
What is the SMILES notation for (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine?
The canonical SMILES for (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine is CCCCc1n[nH]c2c1/C(=N/OCC)CC(C)(C)C2.
What is the InChIKey of (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine?
The InChIKey is RUAGZIRSRAUNQH-QGOAFFKASA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-7-8-11-14-12(17-16-11)9-15(3,4)10-13(14)18-19-6-2/h5-10H2,1-4H3,(H,16,17)/b18-13+.
What are the key properties of (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine?
(E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine has a molecular weight of 263.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-butyl-N-ethoxy-6,6-dimethyl-5,7-dihydro-1H-indazol-4-imine is sourced from PubChem (CID 135569083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).