5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol

C11H20N2O — CID 70399601

IUPAC5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=C(N)C(N)(C(C)(C)C)C1O
InChIInChI=1S/C11H20N2O/c1-7-5-6-8(12)11(13,9(7)14)10(2,3)4/h5-6,9,14H,12-13H2,1-4H3
InChIKeyQQSZOLVCPYPNSB-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.89
Rot. Bonds

About 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol

5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol (PubChem CID 70399601) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol
PubChem CID70399601
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=C(N)C(N)(C(C)(C)C)C1O
InChIInChI=1S/C11H20N2O/c1-7-5-6-8(12)11(13,9(7)14)10(2,3)4/h5-6,9,14H,12-13H2,1-4H3
InChIKeyQQSZOLVCPYPNSB-UHFFFAOYSA-N
XLogP0.89
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol (CID 70399601) is 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol is CC1=CC=C(N)C(N)(C(C)(C)C)C1O.
What is the InChIKey of 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is QQSZOLVCPYPNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7-5-6-8(12)11(13,9(7)14)10(2,3)4/h5-6,9,14H,12-13H2,1-4H3.
What are the key properties of 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol?
5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 196.29 g/mol, XLogP of 0.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-6-tert-butyl-2-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70399601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).