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

C13H23NO2 — CID 103992783

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine
SMILESC1=C(CNCCC2CCCCO2)COCC1
InChIInChI=1S/C13H23NO2/c1-2-9-16-13(5-1)6-7-14-10-12-4-3-8-15-11-12/h4,13-14H,1-3,5-11H2
InChIKeyNUZTZCYHPSNWIR-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.88
Rot. Bonds5

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine (PubChem CID 103992783) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine
PubChem CID103992783
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine
SMILESC1=C(CNCCC2CCCCO2)COCC1
InChIInChI=1S/C13H23NO2/c1-2-9-16-13(5-1)6-7-14-10-12-4-3-8-15-11-12/h4,13-14H,1-3,5-11H2
InChIKeyNUZTZCYHPSNWIR-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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

2-(Cyclohexen-1-yl)morpholine
CID 69728825
4-(Cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404451
4-(Oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404469
4-(Octan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404537
4-(Heptoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404539
4-(Cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404578
4-(Oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404584
4-[(2,6-Dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404645
2-(2-Cyclohex-2-en-1-yloxyethyl)piperidine
CID 114620319
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 115674380
2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741718
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine
CID 115741911

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine (CID 103992783) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine is C1=C(CNCCC2CCCCO2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine?
The InChIKey is NUZTZCYHPSNWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-9-16-13(5-1)6-7-14-10-12-4-3-8-15-11-12/h4,13-14H,1-3,5-11H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine has a molecular weight of 225.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 103992783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).