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

C11H21NO2 — CID 102647781

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(C1=CCCCO1)C(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-11(2,13-4)10(12-3)9-7-5-6-8-14-9/h7,10,12H,5-6,8H2,1-4H3
InChIKeyGNNSCSJBGOASMN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 102647781) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine
PubChem CID102647781
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(C1=CCCCO1)C(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-11(2,13-4)10(12-3)9-7-5-6-8-14-9/h7,10,12H,5-6,8H2,1-4H3
InChIKeyGNNSCSJBGOASMN-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine (CID 102647781) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine is CNC(C1=CCCCO1)C(C)(C)OC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is GNNSCSJBGOASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,13-4)10(12-3)9-7-5-6-8-14-9/h7,10,12H,5-6,8H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylpropan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.69, 4 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,2-dimethylpropan-1-amine is sourced from PubChem (CID 102647781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).