2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine

C8H15NO — CID 148800871

IUPAC2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine
SMILESCNCCC1C=COCC1
InChIInChI=1S/C8H15NO/c1-9-5-2-8-3-6-10-7-4-8/h3,6,8-9H,2,4-5,7H2,1H3
InChIKeyONZQNFSDPBGRKU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.15
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine

2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine (PubChem CID 148800871) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine
PubChem CID148800871
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine
SMILESCNCCC1C=COCC1
InChIInChI=1S/C8H15NO/c1-9-5-2-8-3-6-10-7-4-8/h3,6,8-9H,2,4-5,7H2,1H3
InChIKeyONZQNFSDPBGRKU-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine (CID 148800871) is 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine is CNCCC1C=COCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine?
The InChIKey is ONZQNFSDPBGRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-2-8-3-6-10-7-4-8/h3,6,8-9H,2,4-5,7H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine?
2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine has a molecular weight of 141.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-4-yl)-N-methylethanamine is sourced from PubChem (CID 148800871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).