(2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine

C10H15NO — CID 167041069

IUPAC(2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine
SMILESC/C=C1/OC(C)=C(C)C(N)=C1C
InChIInChI=1S/C10H15NO/c1-5-9-7(3)10(11)6(2)8(4)12-9/h5H,11H2,1-4H3/b9-5+
InChIKeyUDZJMOKRTGPEJY-WEVVVXLNSA-N
MW165.24 g/mol
LogP2.45
Rot. Bonds

About (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine

(2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine (PubChem CID 167041069) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine.

Molecular Properties

Compound Name(2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine
PubChem CID167041069
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine
SMILESC/C=C1/OC(C)=C(C)C(N)=C1C
InChIInChI=1S/C10H15NO/c1-5-9-7(3)10(11)6(2)8(4)12-9/h5H,11H2,1-4H3/b9-5+
InChIKeyUDZJMOKRTGPEJY-WEVVVXLNSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine?
The IUPAC name of (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine (CID 167041069) is (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine.
What is the SMILES notation for (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine?
The canonical SMILES for (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine is C/C=C1/OC(C)=C(C)C(N)=C1C.
What is the InChIKey of (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine?
The InChIKey is UDZJMOKRTGPEJY-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-9-7(3)10(11)6(2)8(4)12-9/h5H,11H2,1-4H3/b9-5+.
What are the key properties of (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine?
(2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine has a molecular weight of 165.24 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3,5,6-trimethylpyran-4-amine is sourced from PubChem (CID 167041069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).