2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol

C12H23NO — CID 134986213

IUPAC2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol
SMILESCC(C)(C)NCC(O)C1CC=CCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-5,10-11,13-14H,6-9H2,1-3H3
InChIKeyHJQRUUUVHJBOQD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds3

About 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol

2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol (PubChem CID 134986213) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol
PubChem CID134986213
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol
SMILESCC(C)(C)NCC(O)C1CC=CCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-5,10-11,13-14H,6-9H2,1-3H3
InChIKeyHJQRUUUVHJBOQD-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
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 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol?
The IUPAC name of 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol (CID 134986213) is 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol?
The canonical SMILES for 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol is CC(C)(C)NCC(O)C1CC=CCC1.
What is the InChIKey of 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol?
The InChIKey is HJQRUUUVHJBOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-5,10-11,13-14H,6-9H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol?
2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-cyclohex-3-en-1-ylethanol is sourced from PubChem (CID 134986213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).