(E)-5-cyclohexylhex-4-en-1-imine

C12H21N — CID 139470365

IUPAC(E)-5-cyclohexylhex-4-en-1-imine
SMILES[H]/N=C/CC/C=C(\C)C1CCCCC1
InChIInChI=1S/C12H21N/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h7,10,12-13H,2-6,8-9H2,1H3/b11-7+,13-10+
InChIKeyZUTJEVLECQNLDE-JPTKLRQTSA-N
MW179.31 g/mol
LogP3.94
Rot. Bonds4

About (E)-5-cyclohexylhex-4-en-1-imine

(E)-5-cyclohexylhex-4-en-1-imine (PubChem CID 139470365) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (E)-5-cyclohexylhex-4-en-1-imine.

Molecular Properties

Compound Name(E)-5-cyclohexylhex-4-en-1-imine
PubChem CID139470365
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(E)-5-cyclohexylhex-4-en-1-imine
SMILES[H]/N=C/CC/C=C(\C)C1CCCCC1
InChIInChI=1S/C12H21N/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h7,10,12-13H,2-6,8-9H2,1H3/b11-7+,13-10+
InChIKeyZUTJEVLECQNLDE-JPTKLRQTSA-N
XLogP3.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclohexylhex-4-en-1-imine?
The IUPAC name of (E)-5-cyclohexylhex-4-en-1-imine (CID 139470365) is (E)-5-cyclohexylhex-4-en-1-imine.
What is the SMILES notation for (E)-5-cyclohexylhex-4-en-1-imine?
The canonical SMILES for (E)-5-cyclohexylhex-4-en-1-imine is [H]/N=C/CC/C=C(\C)C1CCCCC1.
What is the InChIKey of (E)-5-cyclohexylhex-4-en-1-imine?
The InChIKey is ZUTJEVLECQNLDE-JPTKLRQTSA-N. The full InChI is InChI=1S/C12H21N/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h7,10,12-13H,2-6,8-9H2,1H3/b11-7+,13-10+.
What are the key properties of (E)-5-cyclohexylhex-4-en-1-imine?
(E)-5-cyclohexylhex-4-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclohexylhex-4-en-1-imine is sourced from PubChem (CID 139470365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).