6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine

C12H19NO — CID 143673779

IUPAC6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine
SMILESC=C/C(C)=C\C1=C(CC)OCCC1N
InChIInChI=1S/C12H19NO/c1-4-9(3)8-10-11(13)6-7-14-12(10)5-2/h4,8,11H,1,5-7,13H2,2-3H3/b9-8-
InChIKeyNIPFIIHHVGPLPY-HJWRWDBZSA-N
MW193.29 g/mol
LogP2.53
Rot. Bonds3

About 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine

6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine (PubChem CID 143673779) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine.

Molecular Properties

Compound Name6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine
PubChem CID143673779
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine
SMILESC=C/C(C)=C\C1=C(CC)OCCC1N
InChIInChI=1S/C12H19NO/c1-4-9(3)8-10-11(13)6-7-14-12(10)5-2/h4,8,11H,1,5-7,13H2,2-3H3/b9-8-
InChIKeyNIPFIIHHVGPLPY-HJWRWDBZSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine?
The IUPAC name of 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine (CID 143673779) is 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine.
What is the SMILES notation for 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine?
The canonical SMILES for 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine is C=C/C(C)=C\C1=C(CC)OCCC1N.
What is the InChIKey of 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine?
The InChIKey is NIPFIIHHVGPLPY-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-9(3)8-10-11(13)6-7-14-12(10)5-2/h4,8,11H,1,5-7,13H2,2-3H3/b9-8-.
What are the key properties of 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine?
6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine has a molecular weight of 193.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine is sourced from PubChem (CID 143673779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).