N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine

C10H19NO2 — CID 115741744

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCC1=CCCOC1
InChIInChI=1S/C10H19NO2/c1-12-6-3-5-11-8-10-4-2-7-13-9-10/h4,11H,2-3,5-9H2,1H3
InChIKeyFOQGWWPIRNYNJJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds6

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine (PubChem CID 115741744) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine
PubChem CID115741744
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCC1=CCCOC1
InChIInChI=1S/C10H19NO2/c1-12-6-3-5-11-8-10-4-2-7-13-9-10/h4,11H,2-3,5-9H2,1H3
InChIKeyFOQGWWPIRNYNJJ-UHFFFAOYSA-N
XLogP0.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.96
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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115741802
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 115742219
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
1,2,3,6-Tetrahydropyridin-5-ylmethyl acetate
CID 21710524
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
2,6-Dimethoxy-1,2,3,6-tetrahydropyridine
CID 160599293
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
[(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine
CID 53399302
N-ethyl-5-propoxypent-3-en-1-amine
CID 79590570
5-ethoxy-N-ethylpent-3-en-1-amine
CID 79590825

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine (CID 115741744) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine is COCCCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine?
The InChIKey is FOQGWWPIRNYNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-6-3-5-11-8-10-4-2-7-13-9-10/h4,11H,2-3,5-9H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methoxypropan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.96, 6 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)-3-methoxypropan-1-amine is sourced from PubChem (CID 115741744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).