[(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide

C10H15N2- — CID 91028970

IUPAC[(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide
SMILESC=CC(C)=C/C=C(C)\C(C)=N\[NH-]
InChIInChI=1S/C10H15N2/c1-5-8(2)6-7-9(3)10(4)12-11/h5-7,11H,1H2,2-4H3/q-1/b8-6?,9-7-,12-10+
InChIKeyXMYQKOUKQXYLMN-DXJQMQJLSA-N
MW163.24 g/mol
LogP3.49
Rot. Bonds3

About [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide

[(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide (PubChem CID 91028970) has the molecular formula C10H15N2- and a molecular weight of 163.24 g/mol. Its IUPAC name is [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide.

Molecular Properties

Compound Name[(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide
PubChem CID91028970
Molecular FormulaC10H15N2-
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name[(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide
SMILESC=CC(C)=C/C=C(C)\C(C)=N\[NH-]
InChIInChI=1S/C10H15N2/c1-5-8(2)6-7-9(3)10(4)12-11/h5-7,11H,1H2,2-4H3/q-1/b8-6?,9-7-,12-10+
InChIKeyXMYQKOUKQXYLMN-DXJQMQJLSA-N
XLogP3.49
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide?
The IUPAC name of [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide (CID 91028970) is [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide.
What is the SMILES notation for [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide?
The canonical SMILES for [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide is C=CC(C)=C/C=C(C)\C(C)=N\[NH-].
What is the InChIKey of [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide?
The InChIKey is XMYQKOUKQXYLMN-DXJQMQJLSA-N. The full InChI is InChI=1S/C10H15N2/c1-5-8(2)6-7-9(3)10(4)12-11/h5-7,11H,1H2,2-4H3/q-1/b8-6?,9-7-,12-10+.
What are the key properties of [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide?
[(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide has a molecular weight of 163.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide is sourced from PubChem (CID 91028970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).