N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine

C13H23NO2 — CID 115742322

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCC1=CCCOC1)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-11(13-4-7-15-8-5-13)14-9-12-3-2-6-16-10-12/h3,11,13-14H,2,4-10H2,1H3
InChIKeyYZAVBFCASSYCSY-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.74
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine (PubChem CID 115742322) 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)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine
PubChem CID115742322
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCC1=CCCOC1)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-11(13-4-7-15-8-5-13)14-9-12-3-2-6-16-10-12/h3,11,13-14H,2,4-10H2,1H3
InChIKeyYZAVBFCASSYCSY-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine
CID 167165127
N-ethyl-3-methyl-1-(oxan-4-yl)but-2-en-1-amine
CID 79178613
3-methyl-1-(oxan-4-yl)-N-propylbut-2-en-1-amine
CID 79178833
4-(2-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylpentan-1-ol
CID 112353718
3-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]pentan-1-ol
CID 112353757
4-(4-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404543
4-(Oxan-4-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404598
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine
CID 114410909
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
CID 115741720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
CID 115741743
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine
CID 115741788

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine (CID 115742322) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine is CC(NCC1=CCCOC1)C1CCOCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine?
The InChIKey is YZAVBFCASSYCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(13-4-7-15-8-5-13)14-9-12-3-2-6-16-10-12/h3,11,13-14H,2,4-10H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine has a molecular weight of 225.33 g/mol, XLogP of 1.74, 4 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)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115742322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).