[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride

C11H22ClN — CID 127035477

IUPAC[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C[NH3+])C2.[Cl-]
InChIInChI=1S/C11H21N.ClH/c1-10(2)8-4-5-11(10,3)9(6-8)7-12;/h8-9H,4-7,12H2,1-3H3;1H/t8-,9-,11+;/m1./s1
InChIKeyKQNXKLYSCLIALG-DDLFKVEVSA-N
MW203.76 g/mol
LogP-1.31
Rot. Bonds1

About [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride

[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride (PubChem CID 127035477) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride.

Molecular Properties

Compound Name[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
PubChem CID127035477
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C[NH3+])C2.[Cl-]
InChIInChI=1S/C11H21N.ClH/c1-10(2)8-4-5-11(10,3)9(6-8)7-12;/h8-9H,4-7,12H2,1-3H3;1H/t8-,9-,11+;/m1./s1
InChIKeyKQNXKLYSCLIALG-DDLFKVEVSA-N
XLogP-1.31
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 98874526
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
CID 91429053
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 44717056
2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
CID 101328407
3-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]oxetane
CID 22556149
2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 68769763
(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
CID 59880501
4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
CID 101328421
(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium
CID 58252612
1-methyl-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hydrazine
CID 129463430

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride?
The IUPAC name of [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride (CID 127035477) is [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride.
What is the SMILES notation for [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride?
The canonical SMILES for [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C[NH3+])C2.[Cl-].
What is the InChIKey of [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride?
The InChIKey is KQNXKLYSCLIALG-DDLFKVEVSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-10(2)8-4-5-11(10,3)9(6-8)7-12;/h8-9H,4-7,12H2,1-3H3;1H/t8-,9-,11+;/m1./s1.
What are the key properties of [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride?
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride has a molecular weight of 203.76 g/mol, XLogP of -1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride is sourced from PubChem (CID 127035477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).