N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine

C13H24N2O — CID 62064936

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCC1CCC=CO1
InChIInChI=1S/C13H24N2O/c1-12(11-15-7-3-4-8-15)14-10-13-6-2-5-9-16-13/h5,9,12-14H,2-4,6-8,10-11H2,1H3
InChIKeyWUHMXMIFJNMUTK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.75
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 62064936) 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-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID62064936
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCC1CCC=CO1
InChIInChI=1S/C13H24N2O/c1-12(11-15-7-3-4-8-15)14-10-13-6-2-5-9-16-13/h5,9,12-14H,2-4,6-8,10-11H2,1H3
InChIKeyWUHMXMIFJNMUTK-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine
CID 155158107
4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine
CID 155201713
Ethane;2-ethenyl-4-methoxypyrrolidine
CID 168893701
2-(3,4-dihydro-2H-pyran-2-yl)imidazolidine
CID 241742
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55030349
2-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 55030404
1-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55030644
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 55030686
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55030740
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 55030742
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine
CID 55030783

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 62064936) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is WUHMXMIFJNMUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(11-15-7-3-4-8-15)14-10-13-6-2-5-9-16-13/h5,9,12-14H,2-4,6-8,10-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 1.75, 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-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 62064936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).