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

C13H24N2O — CID 62064917

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCN1CCC(CNCC2CCC=CO2)C1
InChIInChI=1S/C13H24N2O/c1-2-15-7-6-12(11-15)9-14-10-13-5-3-4-8-16-13/h4,8,12-14H,2-3,5-7,9-11H2,1H3
InChIKeyORCAHGSLGJRTPG-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.61
Rot. Bonds5

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine (PubChem CID 62064917) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
PubChem CID62064917
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCN1CCC(CNCC2CCC=CO2)C1
InChIInChI=1S/C13H24N2O/c1-2-15-7-6-12(11-15)9-14-10-13-5-3-4-8-16-13/h4,8,12-14H,2-3,5-7,9-11H2,1H3
InChIKeyORCAHGSLGJRTPG-UHFFFAOYSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-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-ethylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine (CID 62064917) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine is CCN1CCC(CNCC2CCC=CO2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine?
The InChIKey is ORCAHGSLGJRTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-15-7-6-12(11-15)9-14-10-13-5-3-4-8-16-13/h4,8,12-14H,2-3,5-7,9-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine has a molecular weight of 224.35 g/mol, XLogP of 1.61, 5 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-ethylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 62064917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).