2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol

C15H28N2O — CID 151716442

IUPAC2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC(C)(C)NC1=C(O)C(C)(NC(C)(C)C)CC=C1
InChIInChI=1S/C15H28N2O/c1-13(2,3)16-11-9-8-10-15(7,12(11)18)17-14(4,5)6/h8-9,16-18H,10H2,1-7H3
InChIKeyRHQYTNDBQMLPLW-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.25
Rot. Bonds2

About 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol

2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 151716442) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID151716442
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC(C)(C)NC1=C(O)C(C)(NC(C)(C)C)CC=C1
InChIInChI=1S/C15H28N2O/c1-13(2,3)16-11-9-8-10-15(7,12(11)18)17-14(4,5)6/h8-9,16-18H,10H2,1-7H3
InChIKeyRHQYTNDBQMLPLW-UHFFFAOYSA-N
XLogP3.25
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol (CID 151716442) is 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol is CC(C)(C)NC1=C(O)C(C)(NC(C)(C)C)CC=C1.
What is the InChIKey of 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is RHQYTNDBQMLPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2,3)16-11-9-8-10-15(7,12(11)18)17-14(4,5)6/h8-9,16-18H,10H2,1-7H3.
What are the key properties of 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol?
2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(tert-butylamino)-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 151716442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).