N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

C13H24N2O — CID 115742215

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1CCNCC1=CCCOC1
InChIInChI=1S/C13H24N2O/c1-12-4-2-7-15(12)8-6-14-10-13-5-3-9-16-11-13/h5,12,14H,2-4,6-11H2,1H3
InChIKeyAXSUBEBBKPNAAM-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds5

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (PubChem CID 115742215) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
PubChem CID115742215
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1CCNCC1=CCCOC1
InChIInChI=1S/C13H24N2O/c1-12-4-2-7-15(12)8-6-14-10-13-5-3-9-16-11-13/h5,12,14H,2-4,6-11H2,1H3
InChIKeyAXSUBEBBKPNAAM-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
CID 166094131
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885727
(3R)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885948
4-(methoxymethyl)-1-[(4-methoxypyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113581617
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582030
4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 114410918
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 114410937
4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine
CID 114410943
4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
CID 114410989
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine
CID 114410990
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine
CID 114411088

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (CID 115742215) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is CC1CCCN1CCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is AXSUBEBBKPNAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12-4-2-7-15(12)8-6-14-10-13-5-3-9-16-11-13/h5,12,14H,2-4,6-11H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 115742215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).