N-ethyl-N-methyl-4H-pyran-3-amine

C8H13NO — CID 91417267

IUPACN-ethyl-N-methyl-4H-pyran-3-amine
SMILESCCN(C)C1=COC=CC1
InChIInChI=1S/C8H13NO/c1-3-9(2)8-5-4-6-10-7-8/h4,6-7H,3,5H2,1-2H3
InChIKeyRSCDGMIVULPJEI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.71
Rot. Bonds2

About N-ethyl-N-methyl-4H-pyran-3-amine

N-ethyl-N-methyl-4H-pyran-3-amine (PubChem CID 91417267) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-ethyl-N-methyl-4H-pyran-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-4H-pyran-3-amine
PubChem CID91417267
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-ethyl-N-methyl-4H-pyran-3-amine
SMILESCCN(C)C1=COC=CC1
InChIInChI=1S/C8H13NO/c1-3-9(2)8-5-4-6-10-7-8/h4,6-7H,3,5H2,1-2H3
InChIKeyRSCDGMIVULPJEI-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4H-pyran-3-amine?
The IUPAC name of N-ethyl-N-methyl-4H-pyran-3-amine (CID 91417267) is N-ethyl-N-methyl-4H-pyran-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-4H-pyran-3-amine?
The canonical SMILES for N-ethyl-N-methyl-4H-pyran-3-amine is CCN(C)C1=COC=CC1.
What is the InChIKey of N-ethyl-N-methyl-4H-pyran-3-amine?
The InChIKey is RSCDGMIVULPJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-9(2)8-5-4-6-10-7-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-4H-pyran-3-amine?
N-ethyl-N-methyl-4H-pyran-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4H-pyran-3-amine is sourced from PubChem (CID 91417267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).