1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol

C12H23NO — CID 106293194

IUPAC1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC1C=CCCC1
InChIInChI=1S/C12H23NO/c1-3-9-12(2,14)10-13-11-7-5-4-6-8-11/h5,7,11,13-14H,3-4,6,8-10H2,1-2H3
InChIKeyCEUJATUEOFSCNM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds5

About 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol

1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol (PubChem CID 106293194) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol
PubChem CID106293194
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC1C=CCCC1
InChIInChI=1S/C12H23NO/c1-3-9-12(2,14)10-13-11-7-5-4-6-8-11/h5,7,11,13-14H,3-4,6,8-10H2,1-2H3
InChIKeyCEUJATUEOFSCNM-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
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 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol?
The IUPAC name of 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol (CID 106293194) is 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol?
The canonical SMILES for 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol is CCCC(C)(O)CNC1C=CCCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol?
The InChIKey is CEUJATUEOFSCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-9-12(2,14)10-13-11-7-5-4-6-8-11/h5,7,11,13-14H,3-4,6,8-10H2,1-2H3.
What are the key properties of 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol?
1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol is sourced from PubChem (CID 106293194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).