1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine

C13H25NO2 — CID 102648757

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)C1=CCCCO1
InChIInChI=1S/C13H25NO2/c1-3-9-15-11-8-12(14-4-2)13-7-5-6-10-16-13/h7,12,14H,3-6,8-11H2,1-2H3
InChIKeyKFTRSJIUNHBVMY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.48
Rot. Bonds8

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine (PubChem CID 102648757) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine
PubChem CID102648757
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)C1=CCCCO1
InChIInChI=1S/C13H25NO2/c1-3-9-15-11-8-12(14-4-2)13-7-5-6-10-16-13/h7,12,14H,3-6,8-11H2,1-2H3
InChIKeyKFTRSJIUNHBVMY-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
CID 102649291
[1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropyl]hydrazine
CID 102650337
1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148720
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 102647764
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
CID 102648061
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
CID 102647493
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine (CID 102648757) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine is CCCOCCC(NCC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine?
The InChIKey is KFTRSJIUNHBVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-9-15-11-8-12(14-4-2)13-7-5-6-10-16-13/h7,12,14H,3-6,8-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine is sourced from PubChem (CID 102648757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).