5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol

C9H15NO — CID 70582569

IUPAC5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(N)C(C)C(C)(O)C=C1
InChIInChI=1S/C9H15NO/c1-6-4-5-9(3,11)7(2)8(6)10/h4-5,7,11H,10H2,1-3H3
InChIKeyOQHJFXPSEIAPJZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.18
Rot. Bonds

About 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol

5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol (PubChem CID 70582569) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol
PubChem CID70582569
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(N)C(C)C(C)(O)C=C1
InChIInChI=1S/C9H15NO/c1-6-4-5-9(3,11)7(2)8(6)10/h4-5,7,11H,10H2,1-3H3
InChIKeyOQHJFXPSEIAPJZ-UHFFFAOYSA-N
XLogP1.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol (CID 70582569) is 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol is CC1=C(N)C(C)C(C)(O)C=C1.
What is the InChIKey of 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is OQHJFXPSEIAPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-4-5-9(3,11)7(2)8(6)10/h4-5,7,11H,10H2,1-3H3.
What are the key properties of 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol?
5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70582569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).