[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride

C11H22ClN — CID 12743565

IUPAC[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride
SMILESC[C@@H]1[C@@H](CN)C[C@H]2C[C@@H]1C2(C)C.Cl
InChIInChI=1S/C11H21N.ClH/c1-7-8(6-12)4-9-5-10(7)11(9,2)3;/h7-10H,4-6,12H2,1-3H3;1H/t7-,8-,9+,10+;/m1./s1
InChIKeyWMWWUXCZAWKORS-AVBROYKKSA-N
MW203.76 g/mol
LogP2.69
Rot. Bonds1

About [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride

[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride (PubChem CID 12743565) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride
PubChem CID12743565
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride
SMILESC[C@@H]1[C@@H](CN)C[C@H]2C[C@@H]1C2(C)C.Cl
InChIInChI=1S/C11H21N.ClH/c1-7-8(6-12)4-9-5-10(7)11(9,2)3;/h7-10H,4-6,12H2,1-3H3;1H/t7-,8-,9+,10+;/m1./s1
InChIKeyWMWWUXCZAWKORS-AVBROYKKSA-N
XLogP2.69
TPSA26.02 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride (CID 12743565) is [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride is C[C@@H]1[C@@H](CN)C[C@H]2C[C@@H]1C2(C)C.Cl.
What is the InChIKey of [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride?
The InChIKey is WMWWUXCZAWKORS-AVBROYKKSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-7-8(6-12)4-9-5-10(7)11(9,2)3;/h7-10H,4-6,12H2,1-3H3;1H/t7-,8-,9+,10+;/m1./s1.
What are the key properties of [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride?
[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride has a molecular weight of 203.76 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine;hydrochloride is sourced from PubChem (CID 12743565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).