(Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine

C14H21N — CID 123145670

IUPAC(Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine
SMILES[H]/N=C(\C)C(C(=C)C(=C)/C=C\CC)=C(C)C
InChIInChI=1S/C14H21N/c1-7-8-9-11(4)12(5)14(10(2)3)13(6)15/h8-9,15H,4-5,7H2,1-3,6H3/b9-8-,15-13+
InChIKeyWCTKLBZLOZXFQU-VCDVZAPZSA-N
MW203.33 g/mol
LogP4.44
Rot. Bonds5

About (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine

(Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine (PubChem CID 123145670) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine.

Molecular Properties

Compound Name(Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine
PubChem CID123145670
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine
SMILES[H]/N=C(\C)C(C(=C)C(=C)/C=C\CC)=C(C)C
InChIInChI=1S/C14H21N/c1-7-8-9-11(4)12(5)14(10(2)3)13(6)15/h8-9,15H,4-5,7H2,1-3,6H3/b9-8-,15-13+
InChIKeyWCTKLBZLOZXFQU-VCDVZAPZSA-N
XLogP4.44
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.44
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine?
The IUPAC name of (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine (CID 123145670) is (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine.
What is the SMILES notation for (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine?
The canonical SMILES for (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine is [H]/N=C(\C)C(C(=C)C(=C)/C=C\CC)=C(C)C.
What is the InChIKey of (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine?
The InChIKey is WCTKLBZLOZXFQU-VCDVZAPZSA-N. The full InChI is InChI=1S/C14H21N/c1-7-8-9-11(4)12(5)14(10(2)3)13(6)15/h8-9,15H,4-5,7H2,1-3,6H3/b9-8-,15-13+.
What are the key properties of (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine?
(Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine has a molecular weight of 203.33 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine is sourced from PubChem (CID 123145670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).