[3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine

C15H30N2O — CID 174918380

IUPAC[3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine
SMILESCC(C)CCC1OC2CC(C)CC(NN)C2C1C
InChIInChI=1S/C15H30N2O/c1-9(2)5-6-13-11(4)15-12(17-16)7-10(3)8-14(15)18-13/h9-15,17H,5-8,16H2,1-4H3
InChIKeyUTAXDXZBMVSTMV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.70
Rot. Bonds4

About [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine

[3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine (PubChem CID 174918380) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine.

Molecular Properties

Compound Name[3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine
PubChem CID174918380
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine
SMILESCC(C)CCC1OC2CC(C)CC(NN)C2C1C
InChIInChI=1S/C15H30N2O/c1-9(2)5-6-13-11(4)15-12(17-16)7-10(3)8-14(15)18-13/h9-15,17H,5-8,16H2,1-4H3
InChIKeyUTAXDXZBMVSTMV-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.70
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'}

Analyze [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine?
The IUPAC name of [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine (CID 174918380) is [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine.
What is the SMILES notation for [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine?
The canonical SMILES for [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine is CC(C)CCC1OC2CC(C)CC(NN)C2C1C.
What is the InChIKey of [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine?
The InChIKey is UTAXDXZBMVSTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-9(2)5-6-13-11(4)15-12(17-16)7-10(3)8-14(15)18-13/h9-15,17H,5-8,16H2,1-4H3.
What are the key properties of [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine?
[3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine has a molecular weight of 254.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine is sourced from PubChem (CID 174918380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).