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

C13H23NO2 — CID 115763781

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESC1=C(CCNCC2CCOCC2)CCOC1
InChIInChI=1S/C13H23NO2/c1(12-2-7-15-8-3-12)6-14-11-13-4-9-16-10-5-13/h2,13-14H,1,3-11H2
InChIKeyRDNPPUVUGLDSBW-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.74
Rot. Bonds5

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

2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 115763781) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID115763781
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESC1=C(CCNCC2CCOCC2)CCOC1
InChIInChI=1S/C13H23NO2/c1(12-2-7-15-8-3-12)6-14-11-13-4-9-16-10-5-13/h2,13-14H,1,3-11H2
InChIKeyRDNPPUVUGLDSBW-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.74
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

ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788
4-(Cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine
CID 166113715
3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine
CID 166785270
4-(Oxan-4-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404598
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine
CID 115741936
1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 115742272
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine
CID 115742322
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115763581
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-ethylbutan-1-amine
CID 115763768
N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
CID 115763776
N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
CID 115763777
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine
CID 115763783

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine (CID 115763781) is 2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine is C1=C(CCNCC2CCOCC2)CCOC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is RDNPPUVUGLDSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1(12-2-7-15-8-3-12)6-14-11-13-4-9-16-10-5-13/h2,13-14H,1,3-11H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine?
2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 225.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 115763781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).