cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine

C12H21N — CID 144794255

IUPACcyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
SMILESC1CCCCC1.C=C/C=C\C=N\C
InChIInChI=1S/C6H9N.C6H12/c1-3-4-5-6-7-2;1-2-4-6-5-3-1/h3-6H,1H2,2H3;1-6H2/b5-4-,7-6+;
InChIKeyWJXDZKFJRGGJFM-YLKXMWBMSA-N
MW179.31 g/mol
LogP3.77
Rot. Bonds2

About cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine

cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine (PubChem CID 144794255) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Namecyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
PubChem CID144794255
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Namecyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
SMILESC1CCCCC1.C=C/C=C\C=N\C
InChIInChI=1S/C6H9N.C6H12/c1-3-4-5-6-7-2;1-2-4-6-5-3-1/h3-6H,1H2,2H3;1-6H2/b5-4-,7-6+;
InChIKeyWJXDZKFJRGGJFM-YLKXMWBMSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
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 cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine (CID 144794255) is cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine is C1CCCCC1.C=C/C=C\C=N\C.
What is the InChIKey of cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine?
The InChIKey is WJXDZKFJRGGJFM-YLKXMWBMSA-N. The full InChI is InChI=1S/C6H9N.C6H12/c1-3-4-5-6-7-2;1-2-4-6-5-3-1/h3-6H,1H2,2H3;1-6H2/b5-4-,7-6+;.
What are the key properties of cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine?
cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 144794255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).