6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol

C16H29NO — CID 175713359

IUPAC6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(C(C)(C)C)C(N)C(C)(O)C=C1C(C)(C)C
InChIInChI=1S/C16H29NO/c1-10-11(14(2,3)4)9-16(8,18)13(17)12(10)15(5,6)7/h9,13,18H,17H2,1-8H3
InChIKeyKPLCVTYYVMEYDY-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.41
Rot. Bonds

About 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol

6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 175713359) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID175713359
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(C(C)(C)C)C(N)C(C)(O)C=C1C(C)(C)C
InChIInChI=1S/C16H29NO/c1-10-11(14(2,3)4)9-16(8,18)13(17)12(10)15(5,6)7/h9,13,18H,17H2,1-8H3
InChIKeyKPLCVTYYVMEYDY-UHFFFAOYSA-N
XLogP3.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol (CID 175713359) is 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol is CC1=C(C(C)(C)C)C(N)C(C)(O)C=C1C(C)(C)C.
What is the InChIKey of 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is KPLCVTYYVMEYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-10-11(14(2,3)4)9-16(8,18)13(17)12(10)15(5,6)7/h9,13,18H,17H2,1-8H3.
What are the key properties of 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol?
6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,5-ditert-butyl-1,4-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175713359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).