6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol

C13H23NO — CID 154278851

IUPAC6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC1=C(C(C)C)C=CC(O)(C(C)C)C1N
InChIInChI=1S/C13H23NO/c1-8(2)11-6-7-13(15,9(3)4)12(14)10(11)5/h6-9,12,15H,14H2,1-5H3
InChIKeyLGNRJDGGUOGZAX-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.24
Rot. Bonds2

About 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol

6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 154278851) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID154278851
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC1=C(C(C)C)C=CC(O)(C(C)C)C1N
InChIInChI=1S/C13H23NO/c1-8(2)11-6-7-13(15,9(3)4)12(14)10(11)5/h6-9,12,15H,14H2,1-5H3
InChIKeyLGNRJDGGUOGZAX-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Aminomethyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 68132702
m-Diethyl-aminophenol
CID 69344032
6-Amino-1,5-dimethylcyclohexa-2,4-dien-1-ol
CID 69782313
6-Amino-1,4-diethylcyclohexa-2,4-dien-1-ol
CID 129636273
6-Amino-1,4-dibutylcyclohexa-2,4-dien-1-ol
CID 153805859
6-Amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol
CID 154156951
5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol
CID 163436957
6-Amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol
CID 172822142
(1R)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol
CID 174686256
6-Amino-1-ethylcyclohexa-2,4-dien-1-ol
CID 174998830
(1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol
CID 175494135
6-Amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 175713359

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol (CID 154278851) is 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol is CC1=C(C(C)C)C=CC(O)(C(C)C)C1N.
What is the InChIKey of 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is LGNRJDGGUOGZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8(2)11-6-7-13(15,9(3)4)12(14)10(11)5/h6-9,12,15H,14H2,1-5H3.
What are the key properties of 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol?
6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154278851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).