(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C10H20N2O — CID 164821408

IUPAC(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)N1[C@H]2CC[C@@H]1[C@@H](N)[C@H](O)C2
InChIInChI=1S/C10H20N2O/c1-6(2)12-7-3-4-8(12)10(11)9(13)5-7/h6-10,13H,3-5,11H2,1-2H3/t7-,8+,9+,10+/m0/s1
InChIKeyUXXQMMJQYAWDLF-SGIHWFKDSA-N
MW184.28 g/mol
LogP0.32
Rot. Bonds1

About (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 164821408) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID164821408
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)N1[C@H]2CC[C@@H]1[C@@H](N)[C@H](O)C2
InChIInChI=1S/C10H20N2O/c1-6(2)12-7-3-4-8(12)10(11)9(13)5-7/h6-10,13H,3-5,11H2,1-2H3/t7-,8+,9+,10+/m0/s1
InChIKeyUXXQMMJQYAWDLF-SGIHWFKDSA-N
XLogP0.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 164821408) is (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)N1[C@H]2CC[C@@H]1[C@@H](N)[C@H](O)C2.
What is the InChIKey of (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UXXQMMJQYAWDLF-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6(2)12-7-3-4-8(12)10(11)9(13)5-7/h6-10,13H,3-5,11H2,1-2H3/t7-,8+,9+,10+/m0/s1.
What are the key properties of (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 164821408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).