(2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine

C13H19NO — CID 166751497

IUPAC(2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)C1=CCC(C)(C)O1
InChIInChI=1S/C13H19NO/c1-5-11(14)7-6-10(2)12-8-9-13(3,4)15-12/h5-8H,2,9,14H2,1,3-4H3/b7-6-,11-5+
InChIKeyZWFGDFXZESXGMR-TUKAJDRUSA-N
MW205.30 g/mol
LogP3.04
Rot. Bonds3

About (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine

(2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine (PubChem CID 166751497) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine
PubChem CID166751497
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)C1=CCC(C)(C)O1
InChIInChI=1S/C13H19NO/c1-5-11(14)7-6-10(2)12-8-9-13(3,4)15-12/h5-8H,2,9,14H2,1,3-4H3/b7-6-,11-5+
InChIKeyZWFGDFXZESXGMR-TUKAJDRUSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine (CID 166751497) is (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine is C=C(/C=C\C(N)=C/C)C1=CCC(C)(C)O1.
What is the InChIKey of (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine?
The InChIKey is ZWFGDFXZESXGMR-TUKAJDRUSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-11(14)7-6-10(2)12-8-9-13(3,4)15-12/h5-8H,2,9,14H2,1,3-4H3/b7-6-,11-5+.
What are the key properties of (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine?
(2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine has a molecular weight of 205.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-(2,2-dimethyl-3H-furan-5-yl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 166751497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).