[(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol

C11H21NO — CID 17039406

IUPAC[(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol
SMILESCC1(C)[C@@H]2C[C@@H](CO)[C@@](C)(N)[C@H]1C2
InChIInChI=1S/C11H21NO/c1-10(2)7-4-8(6-13)11(3,12)9(10)5-7/h7-9,13H,4-6,12H2,1-3H3/t7-,8+,9+,11-/m1/s1
InChIKeyVETFELSGHLFPFA-UYAYMFIHSA-N
MW183.29 g/mol
LogP1.38
Rot. Bonds1

About [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol

[(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol (PubChem CID 17039406) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol
PubChem CID17039406
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol
SMILESCC1(C)[C@@H]2C[C@@H](CO)[C@@](C)(N)[C@H]1C2
InChIInChI=1S/C11H21NO/c1-10(2)7-4-8(6-13)11(3,12)9(10)5-7/h7-9,13H,4-6,12H2,1-3H3/t7-,8+,9+,11-/m1/s1
InChIKeyVETFELSGHLFPFA-UYAYMFIHSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
The IUPAC name of [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol (CID 17039406) is [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol.
What is the SMILES notation for [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
The canonical SMILES for [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol is CC1(C)[C@@H]2C[C@@H](CO)[C@@](C)(N)[C@H]1C2.
What is the InChIKey of [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
The InChIKey is VETFELSGHLFPFA-UYAYMFIHSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)7-4-8(6-13)11(3,12)9(10)5-7/h7-9,13H,4-6,12H2,1-3H3/t7-,8+,9+,11-/m1/s1.
What are the key properties of [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol?
[(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,5S)-2-amino-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol is sourced from PubChem (CID 17039406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).