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

C11H21NO — CID 57245812

IUPAC(1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
SMILESC[C@H](O)[C@H]1C[C@@H]2C[C@@H](C1N)C2(C)C
InChIInChI=1S/C11H21NO/c1-6(13)8-4-7-5-9(10(8)12)11(7,2)3/h6-10,13H,4-5,12H2,1-3H3/t6-,7+,8+,9-,10?/m0/s1
InChIKeyMIKZUOTUNTXLIE-YHTCJBSDSA-N
MW183.29 g/mol
LogP1.38
Rot. Bonds1

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

(1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol (PubChem CID 57245812) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
PubChem CID57245812
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
SMILESC[C@H](O)[C@H]1C[C@@H]2C[C@@H](C1N)C2(C)C
InChIInChI=1S/C11H21NO/c1-6(13)8-4-7-5-9(10(8)12)11(7,2)3/h6-10,13H,4-5,12H2,1-3H3/t6-,7+,8+,9-,10?/m0/s1
InChIKeyMIKZUOTUNTXLIE-YHTCJBSDSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
The IUPAC name of (1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol (CID 57245812) is (1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol.
What is the SMILES notation for (1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
The canonical SMILES for (1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol is C[C@H](O)[C@H]1C[C@@H]2C[C@@H](C1N)C2(C)C.
What is the InChIKey of (1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
The InChIKey is MIKZUOTUNTXLIE-YHTCJBSDSA-N. The full InChI is InChI=1S/C11H21NO/c1-6(13)8-4-7-5-9(10(8)12)11(7,2)3/h6-10,13H,4-5,12H2,1-3H3/t6-,7+,8+,9-,10?/m0/s1.
What are the key properties of (1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
(1S)-1-[(1R,3S,5S)-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, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol is sourced from PubChem (CID 57245812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).