(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine

C10H14N2 — CID 91216602

IUPAC(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine
SMILES[H]/N=C/C1C/C=C\C/C=C\C1=N/C
InChIInChI=1S/C10H14N2/c1-12-10-7-5-3-2-4-6-9(10)8-11/h2,4-5,7-9,11H,3,6H2,1H3/b4-2-,7-5-,11-8+,12-10+
InChIKeyQYEHXWSQBYSIID-MLAKDHHMSA-N
MW162.24 g/mol
LogP2.23
Rot. Bonds1

About (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine

(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine (PubChem CID 91216602) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine
PubChem CID91216602
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine
SMILES[H]/N=C/C1C/C=C\C/C=C\C1=N/C
InChIInChI=1S/C10H14N2/c1-12-10-7-5-3-2-4-6-9(10)8-11/h2,4-5,7-9,11H,3,6H2,1H3/b4-2-,7-5-,11-8+,12-10+
InChIKeyQYEHXWSQBYSIID-MLAKDHHMSA-N
XLogP2.23
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 123329124
(5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine
CID 123449033
(6E)-8-(5-iminopent-1-ynyl)-4-methyl-4,5-dihydro-2H-azocin-3-imine
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3-Methylhept-5-en-1-imine
CID 123653624
(Z)-2,3-dimethyl-1-N-(methylideneamino)hept-5-ene-1,4-diimine
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CID 123743575

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine?
The IUPAC name of (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine (CID 91216602) is (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine.
What is the SMILES notation for (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine?
The canonical SMILES for (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine is [H]/N=C/C1C/C=C\C/C=C\C1=N/C.
What is the InChIKey of (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine?
The InChIKey is QYEHXWSQBYSIID-MLAKDHHMSA-N. The full InChI is InChI=1S/C10H14N2/c1-12-10-7-5-3-2-4-6-9(10)8-11/h2,4-5,7-9,11H,3,6H2,1H3/b4-2-,7-5-,11-8+,12-10+.
What are the key properties of (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine?
(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine has a molecular weight of 162.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine is sourced from PubChem (CID 91216602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).