1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine

C7H13NO — CID 53399302

IUPAC1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNCC1=CCCOC1
InChIInChI=1S/C7H13NO/c1-8-5-7-3-2-4-9-6-7/h3,8H,2,4-6H2,1H3
InChIKeyOFKZVKJRCBTJDW-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds2

About 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine

1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine (PubChem CID 53399302) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine
PubChem CID53399302
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNCC1=CCCOC1
InChIInChI=1S/C7H13NO/c1-8-5-7-3-2-4-9-6-7/h3,8H,2,4-6H2,1H3
InChIKeyOFKZVKJRCBTJDW-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine (CID 53399302) is 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine is CNCC1=CCCOC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The InChIKey is OFKZVKJRCBTJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-7-3-2-4-9-6-7/h3,8H,2,4-6H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 53399302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).