3-(tert-butylamino)cyclohexa-1,3-dien-1-ol

C10H17NO — CID 166169291

IUPAC3-(tert-butylamino)cyclohexa-1,3-dien-1-ol
SMILESCC(C)(C)NC1=CCCC(O)=C1
InChIInChI=1S/C10H17NO/c1-10(2,3)11-8-5-4-6-9(12)7-8/h5,7,11-12H,4,6H2,1-3H3
InChIKeyQVRIQDJBTPUBNN-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.49
Rot. Bonds1

About 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol

3-(tert-butylamino)cyclohexa-1,3-dien-1-ol (PubChem CID 166169291) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-(tert-butylamino)cyclohexa-1,3-dien-1-ol
PubChem CID166169291
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(tert-butylamino)cyclohexa-1,3-dien-1-ol
SMILESCC(C)(C)NC1=CCCC(O)=C1
InChIInChI=1S/C10H17NO/c1-10(2,3)11-8-5-4-6-9(12)7-8/h5,7,11-12H,4,6H2,1-3H3
InChIKeyQVRIQDJBTPUBNN-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 151716442
Ethane;3-(propan-2-ylamino)cyclohexa-1,3-dien-1-ol
CID 168199391
(3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol
CID 135056781
3-(Propan-2-ylamino)cyclohexa-1,3-dien-1-ol
CID 168199392

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol (CID 166169291) is 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol is CC(C)(C)NC1=CCCC(O)=C1.
What is the InChIKey of 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol?
The InChIKey is QVRIQDJBTPUBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)11-8-5-4-6-9(12)7-8/h5,7,11-12H,4,6H2,1-3H3.
What are the key properties of 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol?
3-(tert-butylamino)cyclohexa-1,3-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 166169291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).