2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

C13H23NO2 — CID 115741929

IUPAC2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESC1=C(CNCCOC2CCCC2)COCC1
InChIInChI=1S/C13H23NO2/c1-2-6-13(5-1)16-9-7-14-10-12-4-3-8-15-11-12/h4,13-14H,1-3,5-11H2
InChIKeyWTXFFCAYTONSKA-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.88
Rot. Bonds6

About 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (PubChem CID 115741929) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
PubChem CID115741929
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESC1=C(CNCCOC2CCCC2)COCC1
InChIInChI=1S/C13H23NO2/c1-2-6-13(5-1)16-9-7-14-10-12-4-3-8-15-11-12/h4,13-14H,1-3,5-11H2
InChIKeyWTXFFCAYTONSKA-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
CID 177009350
(2Z)-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837039
(2Z)-N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837479
(E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82838396
(E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
CID 82838798
(2E)-N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82839427
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 104588142
4-(Cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404453
N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 115278791
N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 115278799
N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 115278807
N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 115278837

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (CID 115741929) is 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is C1=C(CNCCOC2CCCC2)COCC1.
What is the InChIKey of 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The InChIKey is WTXFFCAYTONSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-6-13(5-1)16-9-7-14-10-12-4-3-8-15-11-12/h4,13-14H,1-3,5-11H2.
What are the key properties of 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine has a molecular weight of 225.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is sourced from PubChem (CID 115741929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).