6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol

C17H26N2O2 — CID 172822142

IUPAC6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(CC2=C(C)C(N)C(C)(O)C=C2)C=CC(C)(O)C1N
InChIInChI=1S/C17H26N2O2/c1-10-12(5-7-16(3,20)14(10)18)9-13-6-8-17(4,21)15(19)11(13)2/h5-8,14-15,20-21H,9,18-19H2,1-4H3
InChIKeyUJGNOWSFUZTVMR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.31
Rot. Bonds2

About 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol

6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 172822142) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID172822142
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(CC2=C(C)C(N)C(C)(O)C=C2)C=CC(C)(O)C1N
InChIInChI=1S/C17H26N2O2/c1-10-12(5-7-16(3,20)14(10)18)9-13-6-8-17(4,21)15(19)11(13)2/h5-8,14-15,20-21H,9,18-19H2,1-4H3
InChIKeyUJGNOWSFUZTVMR-UHFFFAOYSA-N
XLogP1.31
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

6-Amino-1,5-dimethylcyclohexa-2,4-dien-1-ol
CID 69782313
6-Amino-5-methyl-1,4-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
CID 154278851
6-Amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 175713359
1,5-Bis(aminomethyl)-4-methylcyclohexa-2,4-dien-1-ol
CID 129817649

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 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) is 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol is CC1=C(CC2=C(C)C(N)C(C)(O)C=C2)C=CC(C)(O)C1N.
What is the InChIKey of 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is UJGNOWSFUZTVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-10-12(5-7-16(3,20)14(10)18)9-13-6-8-17(4,21)15(19)11(13)2/h5-8,14-15,20-21H,9,18-19H2,1-4H3.
What are the key properties of 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol?
6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 290.41 g/mol, XLogP of 1.31, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(3-amino-4-hydroxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-1,5-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 172822142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).