N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine

C13H23NO — CID 115908689

IUPACN-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
SMILESC1=C(CCNCC2CCCC2)CCOC1
InChIInChI=1S/C13H23NO/c1-2-4-13(3-1)11-14-8-5-12-6-9-15-10-7-12/h6,13-14H,1-5,7-11H2
InChIKeyFGCJJQJGZVXWCB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds5

About N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine

N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine (PubChem CID 115908689) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
PubChem CID115908689
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
SMILESC1=C(CCNCC2CCCC2)CCOC1
InChIInChI=1S/C13H23NO/c1-2-4-13(3-1)11-14-8-5-12-6-9-15-10-7-12/h6,13-14H,1-5,7-11H2
InChIKeyFGCJJQJGZVXWCB-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine (CID 115908689) is N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine is C1=C(CCNCC2CCCC2)CCOC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The InChIKey is FGCJJQJGZVXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-4-13(3-1)11-14-8-5-12-6-9-15-10-7-12/h6,13-14H,1-5,7-11H2.
What are the key properties of N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine is sourced from PubChem (CID 115908689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).