7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol

C11H21NO — CID 58478620

IUPAC7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol
SMILESCC1(O)CC2CCC1N2C(C)(C)C
InChIInChI=1S/C11H21NO/c1-10(2,3)12-8-5-6-9(12)11(4,13)7-8/h8-9,13H,5-7H2,1-4H3
InChIKeyGWOIHGOFSWKILL-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.77
Rot. Bonds

About 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol

7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol (PubChem CID 58478620) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol
PubChem CID58478620
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol
SMILESCC1(O)CC2CCC1N2C(C)(C)C
InChIInChI=1S/C11H21NO/c1-10(2,3)12-8-5-6-9(12)11(4,13)7-8/h8-9,13H,5-7H2,1-4H3
InChIKeyGWOIHGOFSWKILL-UHFFFAOYSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 130287773
(1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893342
tert-butyl 6-hydroxy-6-methyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 90206312
2,3-ditert-butyl-2-azabicyclo[2.2.2]octane
CID 71075636
1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one
CID 176736984
tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 53395263
tert-butyl (1R,5R)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98048603
(3R)-1-tert-butyl-2,2-dimethylpyrrolidin-3-ol
CID 168820539
7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane
CID 130224209
2-(2-hydroxy-2-methylpropyl)-1-methylcyclopropan-1-ol
CID 15327064
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine
CID 134411103

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol (CID 58478620) is 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol is CC1(O)CC2CCC1N2C(C)(C)C.
What is the InChIKey of 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol?
The InChIKey is GWOIHGOFSWKILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)12-8-5-6-9(12)11(4,13)7-8/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol?
7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol has a molecular weight of 183.30 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 58478620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).