(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

C10H19NO — CID 126970080

IUPAC(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)[C@@H]2C[C@@H](N)[C@@](C)(O)[C@@H]1C2
InChIInChI=1S/C10H19NO/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,12H,4-5,11H2,1-3H3/t6-,7+,8+,10-/m0/s1
InChIKeyLGVDAZQPWJBBGX-WHQQTDPMSA-N
MW169.27 g/mol
LogP1.13
Rot. Bonds

About (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol (PubChem CID 126970080) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
PubChem CID126970080
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)[C@@H]2C[C@@H](N)[C@@](C)(O)[C@@H]1C2
InChIInChI=1S/C10H19NO/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,12H,4-5,11H2,1-3H3/t6-,7+,8+,10-/m0/s1
InChIKeyLGVDAZQPWJBBGX-WHQQTDPMSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The IUPAC name of (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol (CID 126970080) is (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol is CC1(C)[C@@H]2C[C@@H](N)[C@@](C)(O)[C@@H]1C2.
What is the InChIKey of (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The InChIKey is LGVDAZQPWJBBGX-WHQQTDPMSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,12H,4-5,11H2,1-3H3/t6-,7+,8+,10-/m0/s1.
What are the key properties of (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 126970080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).