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

C12H22N2O — CID 115741913

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN1CCCC1CNCC1=CCCOC1
InChIInChI=1S/C12H22N2O/c1-14-6-2-5-12(14)9-13-8-11-4-3-7-15-10-11/h4,12-13H,2-3,5-10H2,1H3
InChIKeyOLHRZGNJOZCVTE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds4

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 115741913) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID115741913
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN1CCCC1CNCC1=CCCOC1
InChIInChI=1S/C12H22N2O/c1-14-6-2-5-12(14)9-13-8-11-4-3-7-15-10-11/h4,12-13H,2-3,5-10H2,1H3
InChIKeyOLHRZGNJOZCVTE-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine (CID 115741913) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine is CN1CCCC1CNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is OLHRZGNJOZCVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-14-6-2-5-12(14)9-13-8-11-4-3-7-15-10-11/h4,12-13H,2-3,5-10H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 210.32 g/mol, XLogP of 1.02, 4 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)-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 115741913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).