6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol

C12H21NO — CID 174986480

IUPAC6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1(O)C=CC=CC1NC(C)(C)C
InChIInChI=1S/C12H21NO/c1-5-12(14)9-7-6-8-10(12)13-11(2,3)4/h6-10,13-14H,5H2,1-4H3
InChIKeyULUNEZVTZMYBKE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.01
Rot. Bonds2

About 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol

6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol (PubChem CID 174986480) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol
PubChem CID174986480
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1(O)C=CC=CC1NC(C)(C)C
InChIInChI=1S/C12H21NO/c1-5-12(14)9-7-6-8-10(12)13-11(2,3)4/h6-10,13-14H,5H2,1-4H3
InChIKeyULUNEZVTZMYBKE-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol (CID 174986480) is 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol is CCC1(O)C=CC=CC1NC(C)(C)C.
What is the InChIKey of 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol?
The InChIKey is ULUNEZVTZMYBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-12(14)9-7-6-8-10(12)13-11(2,3)4/h6-10,13-14H,5H2,1-4H3.
What are the key properties of 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol?
6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol has a molecular weight of 195.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174986480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).