1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine

C₁₃H₂₅N₃O — CID 102650051

About 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine

1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 102650051) has the molecular formula C₁₃H₂₅N₃O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

• Compound Name: 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine
• PubChem CID: 102650051
• Molecular Formula: C₁₃H₂₅N₃O
• Molecular Weight: 239.36 g/mol
• Exact Mass: 239.20
• IUPAC Name: 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine
• SMILES: CN(C)C1(C(NN)C2=CCCCO2)CCCC1
• InChI: InChI=1S/C13H25N3O/c1-16(2)13(8-4-5-9-13)12(15-14)11-7-3-6-10-17-11/h7,12,15H,3-6,8-10,14H2,1-2H3
• InChIKey: GMZXCULWEZEUIU-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 50.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.36
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine?

The IUPAC name of 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine (CID 102650051) is 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine.

What is the SMILES notation for 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine?

The canonical SMILES for 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(C(NN)C2=CCCCO2)CCCC1.

What is the InChIKey of 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine?

The InChIKey is GMZXCULWEZEUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16(2)13(8-4-5-9-13)12(15-14)11-7-3-6-10-17-11/h7,12,15H,3-6,8-10,14H2,1-2H3.

What are the key properties of 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine?

1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,4-dihydro-2H-pyran-6-yl(hydrazinyl)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 102650051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102650051 — identifiers, structure, computed properties (public domain)

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