(1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride

C11H22ClN — CID 51032063

IUPAC(1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride
SMILESCN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C.Cl
InChIInChI=1S/C11H21N.ClH/c1-7-9-5-8(11(9,2)3)6-10(7)12-4;/h7-10,12H,5-6H2,1-4H3;1H/t7-,8+,9-,10-;/m1./s1
InChIKeySLBHRUVXKGEGPB-ZSOUGHPYSA-N
MW203.76 g/mol
LogP2.70
Rot. Bonds1

About (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride

(1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride (PubChem CID 51032063) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride
PubChem CID51032063
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name(1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride
SMILESCN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C.Cl
InChIInChI=1S/C11H21N.ClH/c1-7-9-5-8(11(9,2)3)6-10(7)12-4;/h7-10,12H,5-6H2,1-4H3;1H/t7-,8+,9-,10-;/m1./s1
InChIKeySLBHRUVXKGEGPB-ZSOUGHPYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride?
The IUPAC name of (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride (CID 51032063) is (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride.
What is the SMILES notation for (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride?
The canonical SMILES for (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride is CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C.Cl.
What is the InChIKey of (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride?
The InChIKey is SLBHRUVXKGEGPB-ZSOUGHPYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-7-9-5-8(11(9,2)3)6-10(7)12-4;/h7-10,12H,5-6H2,1-4H3;1H/t7-,8+,9-,10-;/m1./s1.
What are the key properties of (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride?
(1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride has a molecular weight of 203.76 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride is sourced from PubChem (CID 51032063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).