N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine

C11H16N2 — CID 126624674

IUPACN-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine
SMILESC=CNN=C(/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C11H16N2/c1-5-8-10(4)11(9-6-2)13-12-7-3/h5-9,12H,3-4H2,1-2H3/b8-5-,9-6-,13-11-
InChIKeyGHKPYSVOXNPRJX-KKOFKWSWSA-N
MW176.26 g/mol
LogP2.78
Rot. Bonds5

About N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine

N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine (PubChem CID 126624674) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine.

Molecular Properties

Compound NameN-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine
PubChem CID126624674
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine
SMILESC=CNN=C(/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C11H16N2/c1-5-8-10(4)11(9-6-2)13-12-7-3/h5-9,12H,3-4H2,1-2H3/b8-5-,9-6-,13-11-
InChIKeyGHKPYSVOXNPRJX-KKOFKWSWSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine?
The IUPAC name of N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine (CID 126624674) is N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine.
What is the SMILES notation for N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine?
The canonical SMILES for N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine is C=CNN=C(/C=C\C)C(=C)/C=C\C.
What is the InChIKey of N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine?
The InChIKey is GHKPYSVOXNPRJX-KKOFKWSWSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-8-10(4)11(9-6-2)13-12-7-3/h5-9,12H,3-4H2,1-2H3/b8-5-,9-6-,13-11-.
What are the key properties of N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine?
N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine has a molecular weight of 176.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2Z,6Z)-5-methylideneocta-2,6-dien-4-ylidene]amino]ethenamine is sourced from PubChem (CID 126624674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).