(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine

C15H21N — CID 88881826

IUPAC(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine
SMILES[H]/N=C/C(C(=C)C)=C(C)\C(=C\C(=C)C)C(=C)C
InChIInChI=1S/C15H21N/c1-10(2)8-14(11(3)4)13(7)15(9-16)12(5)6/h8-9,16H,1,3,5H2,2,4,6-7H3/b14-8+,15-13+,16-9+
InChIKeyHLFHRHRKGOLWAF-UHLXBIBVSA-N
MW215.34 g/mol
LogP4.61
Rot. Bonds5

About (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine

(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine (PubChem CID 88881826) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine
PubChem CID88881826
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine
SMILES[H]/N=C/C(C(=C)C)=C(C)\C(=C\C(=C)C)C(=C)C
InChIInChI=1S/C15H21N/c1-10(2)8-14(11(3)4)13(7)15(9-16)12(5)6/h8-9,16H,1,3,5H2,2,4,6-7H3/b14-8+,15-13+,16-9+
InChIKeyHLFHRHRKGOLWAF-UHLXBIBVSA-N
XLogP4.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine 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 (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine?
The IUPAC name of (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine (CID 88881826) is (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine.
What is the SMILES notation for (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine?
The canonical SMILES for (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine is [H]/N=C/C(C(=C)C)=C(C)\C(=C\C(=C)C)C(=C)C.
What is the InChIKey of (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine?
The InChIKey is HLFHRHRKGOLWAF-UHLXBIBVSA-N. The full InChI is InChI=1S/C15H21N/c1-10(2)8-14(11(3)4)13(7)15(9-16)12(5)6/h8-9,16H,1,3,5H2,2,4,6-7H3/b14-8+,15-13+,16-9+.
What are the key properties of (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine?
(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine has a molecular weight of 215.34 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine is sourced from PubChem (CID 88881826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).