[2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine

C15H27NO — CID 114227996

IUPAC[2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine
SMILESNCC1CCCCC1OC1/C=C\CCCCC1
InChIInChI=1S/C15H27NO/c16-12-13-8-6-7-11-15(13)17-14-9-4-2-1-3-5-10-14/h4,9,13-15H,1-3,5-8,10-12,16H2/b9-4-
InChIKeyZMGNOHWWWKKHOY-WTKPLQERSA-N
MW237.39 g/mol
LogP3.41
Rot. Bonds3

About [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine

[2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine (PubChem CID 114227996) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine
PubChem CID114227996
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine
SMILESNCC1CCCCC1OC1/C=C\CCCCC1
InChIInChI=1S/C15H27NO/c16-12-13-8-6-7-11-15(13)17-14-9-4-2-1-3-5-10-14/h4,9,13-15H,1-3,5-8,10-12,16H2/b9-4-
InChIKeyZMGNOHWWWKKHOY-WTKPLQERSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine?
The IUPAC name of [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine (CID 114227996) is [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine.
What is the SMILES notation for [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine?
The canonical SMILES for [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine is NCC1CCCCC1OC1/C=C\CCCCC1.
What is the InChIKey of [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine?
The InChIKey is ZMGNOHWWWKKHOY-WTKPLQERSA-N. The full InChI is InChI=1S/C15H27NO/c16-12-13-8-6-7-11-15(13)17-14-9-4-2-1-3-5-10-14/h4,9,13-15H,1-3,5-8,10-12,16H2/b9-4-.
What are the key properties of [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine?
[2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine has a molecular weight of 237.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2E)-cyclooct-2-en-1-yl]oxycyclohexyl]methanamine is sourced from PubChem (CID 114227996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).