2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

C13H23NO — CID 62064920

IUPAC2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESC1=COC(CNCCC2CCCC2)CC1
InChIInChI=1S/C13H23NO/c1-2-6-12(5-1)8-9-14-11-13-7-3-4-10-15-13/h4,10,12-14H,1-3,5-9,11H2
InChIKeyDUBLQOIAIKSXMD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds5

About 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (PubChem CID 62064920) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
PubChem CID62064920
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESC1=COC(CNCCC2CCCC2)CC1
InChIInChI=1S/C13H23NO/c1-2-6-12(5-1)8-9-14-11-13-7-3-4-10-15-13/h4,10,12-14H,1-3,5-9,11H2
InChIKeyDUBLQOIAIKSXMD-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The IUPAC name of 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (CID 62064920) is 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is C1=COC(CNCCC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The InChIKey is DUBLQOIAIKSXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-6-12(5-1)8-9-14-11-13-7-3-4-10-15-13/h4,10,12-14H,1-3,5-9,11H2.
What are the key properties of 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is sourced from PubChem (CID 62064920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).