6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol

C15H25NO — CID 143287142

IUPAC6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol
SMILESCC(C)(C)C1=CC(C(C)(C)C)=C(O)CC(N)=C1
InChIInChI=1S/C15H25NO/c1-14(2,3)10-7-11(16)9-13(17)12(8-10)15(4,5)6/h7-8,17H,9,16H2,1-6H3
InChIKeyQNOYSHZTLXREJO-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.06
Rot. Bonds

About 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol

6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol (PubChem CID 143287142) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol
PubChem CID143287142
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol
SMILESCC(C)(C)C1=CC(C(C)(C)C)=C(O)CC(N)=C1
InChIInChI=1S/C15H25NO/c1-14(2,3)10-7-11(16)9-13(17)12(8-10)15(4,5)6/h7-8,17H,9,16H2,1-6H3
InChIKeyQNOYSHZTLXREJO-UHFFFAOYSA-N
XLogP4.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol?
The IUPAC name of 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol (CID 143287142) is 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol is CC(C)(C)C1=CC(C(C)(C)C)=C(O)CC(N)=C1.
What is the InChIKey of 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol?
The InChIKey is QNOYSHZTLXREJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)10-7-11(16)9-13(17)12(8-10)15(4,5)6/h7-8,17H,9,16H2,1-6H3.
What are the key properties of 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol?
6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol has a molecular weight of 235.37 g/mol, XLogP of 4.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,4-ditert-butylcyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 143287142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).