(4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine

C15H27N — CID 118188701

IUPAC(4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine
SMILES[H]/N=C(\C=C(C)/C=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-11(9-12(2)14(3,4)5)10-13(16)15(6,7)8/h9-10,16H,1-8H3/b11-10-,12-9+,16-13+
InChIKeyHLMUFZQWSNEUHC-UYQQDXDZSA-N
MW221.39 g/mol
LogP4.99
Rot. Bonds2

About (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine

(4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine (PubChem CID 118188701) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine
PubChem CID118188701
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine
SMILES[H]/N=C(\C=C(C)/C=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-11(9-12(2)14(3,4)5)10-13(16)15(6,7)8/h9-10,16H,1-8H3/b11-10-,12-9+,16-13+
InChIKeyHLMUFZQWSNEUHC-UYQQDXDZSA-N
XLogP4.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.99
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 (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-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 (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine?
The IUPAC name of (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine (CID 118188701) is (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine.
What is the SMILES notation for (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine?
The canonical SMILES for (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine is [H]/N=C(\C=C(C)/C=C(\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine?
The InChIKey is HLMUFZQWSNEUHC-UYQQDXDZSA-N. The full InChI is InChI=1S/C15H27N/c1-11(9-12(2)14(3,4)5)10-13(16)15(6,7)8/h9-10,16H,1-8H3/b11-10-,12-9+,16-13+.
What are the key properties of (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine?
(4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine has a molecular weight of 221.39 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine is sourced from PubChem (CID 118188701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).