3,4-diethyl-2H-pyran-2-amine

C9H15NO — CID 152520818

IUPAC3,4-diethyl-2H-pyran-2-amine
SMILESCCC1=C(CC)C(N)OC=C1
InChIInChI=1S/C9H15NO/c1-3-7-5-6-11-9(10)8(7)4-2/h5-6,9H,3-4,10H2,1-2H3
InChIKeyYHMFCXSMMRDWGG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.93
Rot. Bonds2

About 3,4-diethyl-2H-pyran-2-amine

3,4-diethyl-2H-pyran-2-amine (PubChem CID 152520818) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3,4-diethyl-2H-pyran-2-amine.

Molecular Properties

Compound Name3,4-diethyl-2H-pyran-2-amine
PubChem CID152520818
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3,4-diethyl-2H-pyran-2-amine
SMILESCCC1=C(CC)C(N)OC=C1
InChIInChI=1S/C9H15NO/c1-3-7-5-6-11-9(10)8(7)4-2/h5-6,9H,3-4,10H2,1-2H3
InChIKeyYHMFCXSMMRDWGG-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2H-pyran-2-amine?
The IUPAC name of 3,4-diethyl-2H-pyran-2-amine (CID 152520818) is 3,4-diethyl-2H-pyran-2-amine.
What is the SMILES notation for 3,4-diethyl-2H-pyran-2-amine?
The canonical SMILES for 3,4-diethyl-2H-pyran-2-amine is CCC1=C(CC)C(N)OC=C1.
What is the InChIKey of 3,4-diethyl-2H-pyran-2-amine?
The InChIKey is YHMFCXSMMRDWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-7-5-6-11-9(10)8(7)4-2/h5-6,9H,3-4,10H2,1-2H3.
What are the key properties of 3,4-diethyl-2H-pyran-2-amine?
3,4-diethyl-2H-pyran-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2H-pyran-2-amine is sourced from PubChem (CID 152520818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).