(Z)-N,4-dimethylhex-4-en-1-yn-3-imine

C8H11N — CID 149485979

IUPAC(Z)-N,4-dimethylhex-4-en-1-yn-3-imine
SMILESC#CC(=N\C)/C(C)=C\C
InChIInChI=1S/C8H11N/c1-5-7(3)8(6-2)9-4/h2,5H,1,3-4H3/b7-5-,9-8+
InChIKeyZEEGLIYQVXSXAW-SUHGFZJFSA-N
MW121.18 g/mol
LogP1.66
Rot. Bonds1

About (Z)-N,4-dimethylhex-4-en-1-yn-3-imine

(Z)-N,4-dimethylhex-4-en-1-yn-3-imine (PubChem CID 149485979) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (Z)-N,4-dimethylhex-4-en-1-yn-3-imine.

Molecular Properties

Compound Name(Z)-N,4-dimethylhex-4-en-1-yn-3-imine
PubChem CID149485979
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(Z)-N,4-dimethylhex-4-en-1-yn-3-imine
SMILESC#CC(=N\C)/C(C)=C\C
InChIInChI=1S/C8H11N/c1-5-7(3)8(6-2)9-4/h2,5H,1,3-4H3/b7-5-,9-8+
InChIKeyZEEGLIYQVXSXAW-SUHGFZJFSA-N
XLogP1.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,4-dimethylhex-4-en-1-yn-3-imine?
The IUPAC name of (Z)-N,4-dimethylhex-4-en-1-yn-3-imine (CID 149485979) is (Z)-N,4-dimethylhex-4-en-1-yn-3-imine.
What is the SMILES notation for (Z)-N,4-dimethylhex-4-en-1-yn-3-imine?
The canonical SMILES for (Z)-N,4-dimethylhex-4-en-1-yn-3-imine is C#CC(=N\C)/C(C)=C\C.
What is the InChIKey of (Z)-N,4-dimethylhex-4-en-1-yn-3-imine?
The InChIKey is ZEEGLIYQVXSXAW-SUHGFZJFSA-N. The full InChI is InChI=1S/C8H11N/c1-5-7(3)8(6-2)9-4/h2,5H,1,3-4H3/b7-5-,9-8+.
What are the key properties of (Z)-N,4-dimethylhex-4-en-1-yn-3-imine?
(Z)-N,4-dimethylhex-4-en-1-yn-3-imine has a molecular weight of 121.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,4-dimethylhex-4-en-1-yn-3-imine is sourced from PubChem (CID 149485979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).