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

C12H23NO2 — CID 115741936

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine
SMILESCOCCCCCNCC1=CCCOC1
InChIInChI=1S/C12H23NO2/c1-14-8-4-2-3-7-13-10-12-6-5-9-15-11-12/h6,13H,2-5,7-11H2,1H3
InChIKeyRZCSACWQCZOYHD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds8

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine (PubChem CID 115741936) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine
PubChem CID115741936
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine
SMILESCOCCCCCNCC1=CCCOC1
InChIInChI=1S/C12H23NO2/c1-14-8-4-2-3-7-13-10-12-6-5-9-15-11-12/h6,13H,2-5,7-11H2,1H3
InChIKeyRZCSACWQCZOYHD-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
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

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 115896002
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
4-(2-Methoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716250
4-(2-Ethoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716599
4-(2-Propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
CID 84717346
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclobutanamine
CID 104005710
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-propan-2-yloxybutan-1-amine
CID 104159004
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2,2-dimethylpentan-1-ol
CID 112353699
4-(Hexoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404535
4-(Propoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404558
4-(Butoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404560

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine (CID 115741936) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine is COCCCCCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine?
The InChIKey is RZCSACWQCZOYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-8-4-2-3-7-13-10-12-6-5-9-15-11-12/h6,13H,2-5,7-11H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 8 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)-5-methoxypentan-1-amine is sourced from PubChem (CID 115741936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).