N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine

C12H22N2O — CID 62064239

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCC2CCC=CO2)C1
InChIInChI=1S/C12H22N2O/c1-14-6-5-11(10-14)8-13-9-12-4-2-3-7-15-12/h3,7,11-13H,2,4-6,8-10H2,1H3
InChIKeyCFYUXQFJOGLRRD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.22
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 62064239) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID62064239
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCC2CCC=CO2)C1
InChIInChI=1S/C12H22N2O/c1-14-6-5-11(10-14)8-13-9-12-4-2-3-7-15-12/h3,7,11-13H,2,4-6,8-10H2,1H3
InChIKeyCFYUXQFJOGLRRD-UHFFFAOYSA-N
XLogP1.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)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 N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine (CID 62064239) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine is CN1CCC(CNCC2CCC=CO2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is CFYUXQFJOGLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-14-6-5-11(10-14)8-13-9-12-4-2-3-7-15-12/h3,7,11-13H,2,4-6,8-10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 210.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 62064239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).