cyclohex-2-en-1-yl-(cyclohexylamino)methanol

C13H23NO — CID 139564743

IUPACcyclohex-2-en-1-yl-(cyclohexylamino)methanol
SMILESOC(NC1CCCCC1)C1C=CCCC1
InChIInChI=1S/C13H23NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h3,7,11-15H,1-2,4-6,8-10H2
InChIKeyBAMDCOMXFRHIHC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.58
Rot. Bonds3

About cyclohex-2-en-1-yl-(cyclohexylamino)methanol

cyclohex-2-en-1-yl-(cyclohexylamino)methanol (PubChem CID 139564743) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cyclohex-2-en-1-yl-(cyclohexylamino)methanol.

Molecular Properties

Compound Namecyclohex-2-en-1-yl-(cyclohexylamino)methanol
PubChem CID139564743
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecyclohex-2-en-1-yl-(cyclohexylamino)methanol
SMILESOC(NC1CCCCC1)C1C=CCCC1
InChIInChI=1S/C13H23NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h3,7,11-15H,1-2,4-6,8-10H2
InChIKeyBAMDCOMXFRHIHC-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl-(cyclohexylamino)methanol?
The IUPAC name of cyclohex-2-en-1-yl-(cyclohexylamino)methanol (CID 139564743) is cyclohex-2-en-1-yl-(cyclohexylamino)methanol.
What is the SMILES notation for cyclohex-2-en-1-yl-(cyclohexylamino)methanol?
The canonical SMILES for cyclohex-2-en-1-yl-(cyclohexylamino)methanol is OC(NC1CCCCC1)C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl-(cyclohexylamino)methanol?
The InChIKey is BAMDCOMXFRHIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h3,7,11-15H,1-2,4-6,8-10H2.
What are the key properties of cyclohex-2-en-1-yl-(cyclohexylamino)methanol?
cyclohex-2-en-1-yl-(cyclohexylamino)methanol has a molecular weight of 209.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl-(cyclohexylamino)methanol is sourced from PubChem (CID 139564743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).