1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine

C12H23NO2 — CID 102647801

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)OC
InChIInChI=1S/C12H23NO2/c1-4-8-13-12(10(2)14-3)11-7-5-6-9-15-11/h7,10,12-13H,4-6,8-9H2,1-3H3
InChIKeyJTJWUJTVVXCXIF-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.08
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine (PubChem CID 102647801) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
PubChem CID102647801
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)OC
InChIInChI=1S/C12H23NO2/c1-4-8-13-12(10(2)14-3)11-7-5-6-9-15-11/h7,10,12-13H,4-6,8-9H2,1-3H3
InChIKeyJTJWUJTVVXCXIF-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydrofuran-5-yl)-2-methoxy-N-propylpropan-1-amine
CID 102651913
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine
CID 102649408
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(2,3-dihydrofuran-5-yl)-2-methoxy-N-methylpropan-1-amine
CID 102651911
1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
CID 102649291
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 102648094
N-[3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 102648002
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 102648121
[3,4-dihydro-2H-pyran-6-yl(methoxy)methyl]-triethylsilane
CID 10014643
N-[3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 102648125

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine (CID 102647801) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine is CCCNC(C1=CCCCO1)C(C)OC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine?
The InChIKey is JTJWUJTVVXCXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-8-13-12(10(2)14-3)11-7-5-6-9-15-11/h7,10,12-13H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.08, 6 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)-2-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 102647801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).