1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine

C14H25NO — CID 115895999

IUPAC1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine
SMILESCC(NCCC1=CCOCC1)C1CCCC1
InChIInChI=1S/C14H25NO/c1-12(14-4-2-3-5-14)15-9-6-13-7-10-16-11-8-13/h7,12,14-15H,2-6,8-11H2,1H3
InChIKeyYOCXZXHWGZASKY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds5

About 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine

1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine (PubChem CID 115895999) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine
PubChem CID115895999
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine
SMILESCC(NCCC1=CCOCC1)C1CCCC1
InChIInChI=1S/C14H25NO/c1-12(14-4-2-3-5-14)15-9-6-13-7-10-16-11-8-13/h7,12,14-15H,2-6,8-11H2,1H3
InChIKeyYOCXZXHWGZASKY-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
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 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine (CID 115895999) is 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine is CC(NCCC1=CCOCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine?
The InChIKey is YOCXZXHWGZASKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(14-4-2-3-5-14)15-9-6-13-7-10-16-11-8-13/h7,12,14-15H,2-6,8-11H2,1H3.
What are the key properties of 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine?
1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine is sourced from PubChem (CID 115895999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).