(1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane

C11H21N — CID 170383307

IUPAC(1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CC2C(C)(C)C
InChIInChI=1S/C11H21N/c1-11(2,3)10-6-9-5-8(10)7-12(9)4/h8-10H,5-7H2,1-4H3/t8-,9-,10?/m0/s1
InChIKeyDPLHLKYGMLUDEC-XMCUXHSSSA-N
MW167.30 g/mol
LogP2.37
Rot. Bonds

About (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane

(1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 170383307) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID170383307
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CC2C(C)(C)C
InChIInChI=1S/C11H21N/c1-11(2,3)10-6-9-5-8(10)7-12(9)4/h8-10H,5-7H2,1-4H3/t8-,9-,10?/m0/s1
InChIKeyDPLHLKYGMLUDEC-XMCUXHSSSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
CID 139364909
(1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane
CID 147471345
2-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2-azabicyclo[2.2.1]heptane
CID 164762130
1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)propan-1-amine
CID 137347410
(1S,4S)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 160727346
(2R)-2-tert-butylbicyclo[2.2.2]octane
CID 153289737
(1R,4S)-3-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane
CID 157364347
2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid
CID 84653507
(1S,4S)-7-tert-butyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane
CID 177267260
(3S,4R)-3-tert-butyl-1-azabicyclo[2.2.1]heptane
CID 66827257
(1S,4S)-2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 129035492
2-tert-butyl-5-(3-tert-butylazetidin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166559649

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane (CID 170383307) is (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane is CN1C[C@@H]2C[C@H]1CC2C(C)(C)C.
What is the InChIKey of (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is DPLHLKYGMLUDEC-XMCUXHSSSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,3)10-6-9-5-8(10)7-12(9)4/h8-10H,5-7H2,1-4H3/t8-,9-,10?/m0/s1.
What are the key properties of (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane?
(1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 167.30 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170383307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).