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

C14H23N3O — CID 135403078

IUPAC(Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine
SMILESCCCc1n[nH]c2c1/C(=N\OCC)CC(C)(C)C2
InChIInChI=1S/C14H23N3O/c1-5-7-10-13-11(16-15-10)8-14(3,4)9-12(13)17-18-6-2/h5-9H2,1-4H3,(H,15,16)/b17-12-
InChIKeyQFHQNBBVDSBWQI-ATVHPVEESA-N
MW249.36 g/mol
LogP3.08
Rot. Bonds4

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

(Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine (PubChem CID 135403078) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine.

Molecular Properties

Compound Name(Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine
PubChem CID135403078
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine
SMILESCCCc1n[nH]c2c1/C(=N\OCC)CC(C)(C)C2
InChIInChI=1S/C14H23N3O/c1-5-7-10-13-11(16-15-10)8-14(3,4)9-12(13)17-18-6-2/h5-9H2,1-4H3,(H,15,16)/b17-12-
InChIKeyQFHQNBBVDSBWQI-ATVHPVEESA-N
XLogP3.08
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.08
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 (Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine?
The IUPAC name of (Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine (CID 135403078) is (Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine.
What is the SMILES notation for (Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine?
The canonical SMILES for (Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine is CCCc1n[nH]c2c1/C(=N\OCC)CC(C)(C)C2.
What is the InChIKey of (Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine?
The InChIKey is QFHQNBBVDSBWQI-ATVHPVEESA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-7-10-13-11(16-15-10)8-14(3,4)9-12(13)17-18-6-2/h5-9H2,1-4H3,(H,15,16)/b17-12-.
What are the key properties of (Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine?
(Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine has a molecular weight of 249.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethoxy-6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-imine is sourced from PubChem (CID 135403078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).