2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol

C17H31NO — CID 154288247

IUPAC2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
SMILESCN(C)CC1(C(C)(C)C)CC=CC(C(C)(C)C)=C1O
InChIInChI=1S/C17H31NO/c1-15(2,3)13-10-9-11-17(14(13)19,12-18(7)8)16(4,5)6/h9-10,19H,11-12H2,1-8H3
InChIKeyPJMHNVCERMEIBZ-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.40
Rot. Bonds2

About 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol

2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol (PubChem CID 154288247) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
PubChem CID154288247
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
SMILESCN(C)CC1(C(C)(C)C)CC=CC(C(C)(C)C)=C1O
InChIInChI=1S/C17H31NO/c1-15(2,3)13-10-9-11-17(14(13)19,12-18(7)8)16(4,5)6/h9-10,19H,11-12H2,1-8H3
InChIKeyPJMHNVCERMEIBZ-UHFFFAOYSA-N
XLogP4.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Bis[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol
CID 69993008
5-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol
CID 126693025
2,6-Bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol
CID 139660786
2,6-Ditert-butyl-4-(dimethylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 152373180
5-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-methylcyclohexa-1,3-dien-1-ol
CID 170367953
6-(Diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol
CID 174906644
2,4,6-Tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol
CID 175760872

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol (CID 154288247) is 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol is CN(C)CC1(C(C)(C)C)CC=CC(C(C)(C)C)=C1O.
What is the InChIKey of 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol?
The InChIKey is PJMHNVCERMEIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2,3)13-10-9-11-17(14(13)19,12-18(7)8)16(4,5)6/h9-10,19H,11-12H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol?
2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol has a molecular weight of 265.44 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-6-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 154288247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).