1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine

C12H21NO2 — CID 115742281

IUPAC1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
SMILESCC1(CNCC2=CCCOC2)CCCO1
InChIInChI=1S/C12H21NO2/c1-12(5-3-7-15-12)10-13-8-11-4-2-6-14-9-11/h4,13H,2-3,5-10H2,1H3
InChIKeyPDAYWOULVHYRHW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds4

About 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine

1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine (PubChem CID 115742281) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
PubChem CID115742281
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
SMILESCC1(CNCC2=CCCOC2)CCCO1
InChIInChI=1S/C12H21NO2/c1-12(5-3-7-15-12)10-13-8-11-4-2-6-14-9-11/h4,13H,2-3,5-10H2,1H3
InChIKeyPDAYWOULVHYRHW-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
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

1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991572
1-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclopentan-1-ol
CID 112353607
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2,5-dimethylhexan-2-ol
CID 112353683
1-[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
CID 113582045
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
CID 114413499
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 115674346
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 115674383
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine
CID 115741936
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol
CID 115742060
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine
CID 115763787
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine
CID 115896025

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine (CID 115742281) is 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine is CC1(CNCC2=CCCOC2)CCCO1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The InChIKey is PDAYWOULVHYRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(5-3-7-15-12)10-13-8-11-4-2-6-14-9-11/h4,13H,2-3,5-10H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine is sourced from PubChem (CID 115742281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).