1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C12H21NO3 — CID 104759797

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCC2CCC=CO2)CCOC1
InChIInChI=1S/C12H21NO3/c1-14-12(5-7-15-10-12)9-13-8-11-4-2-3-6-16-11/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyBCWZPYRRIPSSOG-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.07
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104759797) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104759797
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCC2CCC=CO2)CCOC1
InChIInChI=1S/C12H21NO3/c1-14-12(5-7-15-10-12)9-13-8-11-4-2-3-6-16-11/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyBCWZPYRRIPSSOG-UHFFFAOYSA-N
XLogP1.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine 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-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104759797) is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is COC1(CNCC2CCC=CO2)CCOC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is BCWZPYRRIPSSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-14-12(5-7-15-10-12)9-13-8-11-4-2-3-6-16-11/h3,6,11,13H,2,4-5,7-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 227.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104759797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).