3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine

C15H28N2O — CID 123746046

IUPAC3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine
SMILESCCCCC(CCNN)C1=CC(C)C(C)=C(C)O1
InChIInChI=1S/C15H28N2O/c1-5-6-7-14(8-9-17-16)15-10-11(2)12(3)13(4)18-15/h10-11,14,17H,5-9,16H2,1-4H3
InChIKeyVYHNRWPRZDVURY-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.49
Rot. Bonds7

About 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine

3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine (PubChem CID 123746046) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine.

Molecular Properties

Compound Name3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine
PubChem CID123746046
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine
SMILESCCCCC(CCNN)C1=CC(C)C(C)=C(C)O1
InChIInChI=1S/C15H28N2O/c1-5-6-7-14(8-9-17-16)15-10-11(2)12(3)13(4)18-15/h10-11,14,17H,5-9,16H2,1-4H3
InChIKeyVYHNRWPRZDVURY-UHFFFAOYSA-N
XLogP3.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.49
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-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine with MolForge

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

Launch Full Analysis

Related Compounds

[1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpentyl]hydrazine
CID 102650235
[1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine
CID 102650293
[1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentyl]hydrazine
CID 102650329
[1-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentyl]hydrazine
CID 102650409

Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine?
The IUPAC name of 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine (CID 123746046) is 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine.
What is the SMILES notation for 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine?
The canonical SMILES for 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine is CCCCC(CCNN)C1=CC(C)C(C)=C(C)O1.
What is the InChIKey of 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine?
The InChIKey is VYHNRWPRZDVURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-6-7-14(8-9-17-16)15-10-11(2)12(3)13(4)18-15/h10-11,14,17H,5-9,16H2,1-4H3.
What are the key properties of 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine?
3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine has a molecular weight of 252.40 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine is sourced from PubChem (CID 123746046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).