6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine

C14H25N — CID 146247402

IUPAC6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine
SMILES[H]/N=C/CCCCCC1CC/C=C\CCC1
InChIInChI=1S/C14H25N/c15-13-9-5-4-8-12-14-10-6-2-1-3-7-11-14/h1-2,13-15H,3-12H2/b2-1-,15-13+
InChIKeyWEXIWNGDDMMRQS-ILKKKIPFSA-N
MW207.36 g/mol
LogP4.72
Rot. Bonds6

About 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine

6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine (PubChem CID 146247402) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine.

Molecular Properties

Compound Name6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine
PubChem CID146247402
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine
SMILES[H]/N=C/CCCCCC1CC/C=C\CCC1
InChIInChI=1S/C14H25N/c15-13-9-5-4-8-12-14-10-6-2-1-3-7-11-14/h1-2,13-15H,3-12H2/b2-1-,15-13+
InChIKeyWEXIWNGDDMMRQS-ILKKKIPFSA-N
XLogP4.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.72
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 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine?
The IUPAC name of 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine (CID 146247402) is 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine.
What is the SMILES notation for 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine?
The canonical SMILES for 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine is [H]/N=C/CCCCCC1CC/C=C\CCC1.
What is the InChIKey of 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine?
The InChIKey is WEXIWNGDDMMRQS-ILKKKIPFSA-N. The full InChI is InChI=1S/C14H25N/c15-13-9-5-4-8-12-14-10-6-2-1-3-7-11-14/h1-2,13-15H,3-12H2/b2-1-,15-13+.
What are the key properties of 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine?
6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4Z)-cyclooct-4-en-1-yl]hexan-1-imine is sourced from PubChem (CID 146247402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).