N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine

C11H21NO2 — CID 104588142

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-10(2)14-7-5-12-8-11-4-3-6-13-9-11/h4,10,12H,3,5-9H2,1-2H3
InChIKeyJCLOXSMZKVPEOA-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds6

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine (PubChem CID 104588142) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine
PubChem CID104588142
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-10(2)14-7-5-12-8-11-4-3-6-13-9-11/h4,10,12H,3,5-9H2,1-2H3
InChIKeyJCLOXSMZKVPEOA-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
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-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine
CID 16736003
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
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
2-(2-Methylprop-1-enyl)morpholine
CID 67801913
2-[(E)-pent-2-en-2-yl]morpholine
CID 68590208
2-Pent-2-en-2-ylmorpholine
CID 68590213
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
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
(2R)-2-(2-methylprop-1-enyl)morpholine
CID 130456716
2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine
CID 143800433

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine (CID 104588142) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine is CC(C)OCCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine?
The InChIKey is JCLOXSMZKVPEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)14-7-5-12-8-11-4-3-6-13-9-11/h4,10,12H,3,5-9H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 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)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104588142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).