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

C11H21NO — CID 15450538

IUPAC2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
SMILESCC1(C)[C@@H]2C[C@@H](CCO)[C@H](N)[C@H]1C2
InChIInChI=1S/C11H21NO/c1-11(2)8-5-7(3-4-13)10(12)9(11)6-8/h7-10,13H,3-6,12H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyPDPVGSJZVCWIKP-KYXWUPHJSA-N
MW183.29 g/mol
LogP1.38
Rot. Bonds2

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

2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol (PubChem CID 15450538) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
PubChem CID15450538
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
SMILESCC1(C)[C@@H]2C[C@@H](CCO)[C@H](N)[C@H]1C2
InChIInChI=1S/C11H21NO/c1-11(2)8-5-7(3-4-13)10(12)9(11)6-8/h7-10,13H,3-6,12H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyPDPVGSJZVCWIKP-KYXWUPHJSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol with MolForge

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Related Compounds

[(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
CID 67232742
(1S,3S,5R)-6,6-dimethyl-3-propylbicyclo[3.1.1]heptan-2-amine
CID 58974255
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686
2-[(1R,2S,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethyl benzoate
CID 70301625
2-(2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethyl benzoate
CID 70301627
tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate
CID 135011721
2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 89342976
(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 67232659
[(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol
CID 68527765
(1R,2R,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 102130555
[(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
CID 67232704
[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine
CID 124915343

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
The IUPAC name of 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol (CID 15450538) is 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol.
What is the SMILES notation for 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
The canonical SMILES for 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol is CC1(C)[C@@H]2C[C@@H](CCO)[C@H](N)[C@H]1C2.
What is the InChIKey of 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
The InChIKey is PDPVGSJZVCWIKP-KYXWUPHJSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2)8-5-7(3-4-13)10(12)9(11)6-8/h7-10,13H,3-6,12H2,1-2H3/t7-,8-,9-,10+/m1/s1.
What are the key properties of 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol is sourced from PubChem (CID 15450538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).