4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol

C14H25NO — CID 70460472

IUPAC4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1C=C(N)C=CC1(O)C(C)(C)C
InChIInChI=1S/C14H25NO/c1-12(2,3)11-9-10(15)7-8-14(11,16)13(4,5)6/h7-9,11,16H,15H2,1-6H3
InChIKeyDWPYRGINQNVSQL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds

About 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol

4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol (PubChem CID 70460472) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol
PubChem CID70460472
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1C=C(N)C=CC1(O)C(C)(C)C
InChIInChI=1S/C14H25NO/c1-12(2,3)11-9-10(15)7-8-14(11,16)13(4,5)6/h7-9,11,16H,15H2,1-6H3
InChIKeyDWPYRGINQNVSQL-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol (CID 70460472) is 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol is CC(C)(C)C1C=C(N)C=CC1(O)C(C)(C)C.
What is the InChIKey of 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol?
The InChIKey is DWPYRGINQNVSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(2,3)11-9-10(15)7-8-14(11,16)13(4,5)6/h7-9,11,16H,15H2,1-6H3.
What are the key properties of 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol?
4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70460472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).