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

C10H19NO2 — CID 115741726

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1=CCCOC1
InChIInChI=1S/C10H19NO2/c1-9(7-12-2)11-6-10-4-3-5-13-8-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyDBPJNGGEWCVZNQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds5

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine (PubChem CID 115741726) 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)-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine
PubChem CID115741726
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1=CCCOC1
InChIInChI=1S/C10H19NO2/c1-9(7-12-2)11-6-10-4-3-5-13-8-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyDBPJNGGEWCVZNQ-UHFFFAOYSA-N
XLogP0.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': '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-fluoropropan-1-amine
CID 115742343
N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 91094343
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N-methylpropane-1,3-diamine
CID 91198611
ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen
CID 142079041
(E)-2-ethyl-N-[2-[(Z,2E)-2-ethylidene-4-methylhex-3-enoxy]ethyl]but-2-en-1-amine
CID 144416470
N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine
CID 154992836
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
(3S)-3-[(3E)-5-methoxyhexa-1,3,5-trien-3-yl]morpholine
CID 178095201
N-Cyclohexyl-4-methyl-3,6-dihydro-2H-pyran-3-amine
CID 13530832
1-ethoxy-N-ethyl-4-methylpent-3-en-2-amine
CID 79179511
1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
CID 79179708

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine (CID 115741726) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine is COCC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine?
The InChIKey is DBPJNGGEWCVZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(7-12-2)11-6-10-4-3-5-13-8-10/h4,9,11H,3,5-8H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine has a molecular weight of 185.27 g/mol, XLogP of 0.96, 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)-1-methoxypropan-2-amine is sourced from PubChem (CID 115741726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).