cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine

C10H17NO2 — CID 62803470

IUPACcyclopenten-1-yl(1,4-dioxan-2-yl)methanamine
SMILESNC(C1=CCCC1)C1COCCO1
InChIInChI=1S/C10H17NO2/c11-10(8-3-1-2-4-8)9-7-12-5-6-13-9/h3,9-10H,1-2,4-7,11H2
InChIKeyJQTAALMSYUBKMP-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds2

About cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine

cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine (PubChem CID 62803470) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl(1,4-dioxan-2-yl)methanamine
PubChem CID62803470
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecyclopenten-1-yl(1,4-dioxan-2-yl)methanamine
SMILESNC(C1=CCCC1)C1COCCO1
InChIInChI=1S/C10H17NO2/c11-10(8-3-1-2-4-8)9-7-12-5-6-13-9/h3,9-10H,1-2,4-7,11H2
InChIKeyJQTAALMSYUBKMP-UHFFFAOYSA-N
XLogP0.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine?
The IUPAC name of cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine (CID 62803470) is cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine.
What is the SMILES notation for cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine?
The canonical SMILES for cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine is NC(C1=CCCC1)C1COCCO1.
What is the InChIKey of cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine?
The InChIKey is JQTAALMSYUBKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-10(8-3-1-2-4-8)9-7-12-5-6-13-9/h3,9-10H,1-2,4-7,11H2.
What are the key properties of cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine?
cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine has a molecular weight of 183.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl(1,4-dioxan-2-yl)methanamine is sourced from PubChem (CID 62803470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).