cyclopenten-1-yl(oxan-4-yl)methanamine

C11H19NO — CID 62904964

IUPACcyclopenten-1-yl(oxan-4-yl)methanamine
SMILESNC(C1=CCCC1)C1CCOCC1
InChIInChI=1S/C11H19NO/c12-11(9-3-1-2-4-9)10-5-7-13-8-6-10/h3,10-11H,1-2,4-8,12H2
InChIKeyIDXDFMRPAFJHGQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.85
Rot. Bonds2

About cyclopenten-1-yl(oxan-4-yl)methanamine

cyclopenten-1-yl(oxan-4-yl)methanamine (PubChem CID 62904964) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclopenten-1-yl(oxan-4-yl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl(oxan-4-yl)methanamine
PubChem CID62904964
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclopenten-1-yl(oxan-4-yl)methanamine
SMILESNC(C1=CCCC1)C1CCOCC1
InChIInChI=1S/C11H19NO/c12-11(9-3-1-2-4-9)10-5-7-13-8-6-10/h3,10-11H,1-2,4-8,12H2
InChIKeyIDXDFMRPAFJHGQ-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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(oxan-4-yl)methanamine?
The IUPAC name of cyclopenten-1-yl(oxan-4-yl)methanamine (CID 62904964) is cyclopenten-1-yl(oxan-4-yl)methanamine.
What is the SMILES notation for cyclopenten-1-yl(oxan-4-yl)methanamine?
The canonical SMILES for cyclopenten-1-yl(oxan-4-yl)methanamine is NC(C1=CCCC1)C1CCOCC1.
What is the InChIKey of cyclopenten-1-yl(oxan-4-yl)methanamine?
The InChIKey is IDXDFMRPAFJHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-11(9-3-1-2-4-9)10-5-7-13-8-6-10/h3,10-11H,1-2,4-8,12H2.
What are the key properties of cyclopenten-1-yl(oxan-4-yl)methanamine?
cyclopenten-1-yl(oxan-4-yl)methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl(oxan-4-yl)methanamine is sourced from PubChem (CID 62904964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).