[(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C10H20N2O — CID 89460481

IUPAC[(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCC(C)(C)N1C[C@@H]2[C@H](C1)C2(N)CO
InChIInChI=1S/C10H20N2O/c1-9(2,3)12-4-7-8(5-12)10(7,11)6-13/h7-8,13H,4-6,11H2,1-3H3/t7-,8+,10?
InChIKeyINJFAXPCJMNNGR-JWHQNHQBSA-N
MW184.28 g/mol
LogP0.04
Rot. Bonds1

About [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 89460481) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID89460481
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCC(C)(C)N1C[C@@H]2[C@H](C1)C2(N)CO
InChIInChI=1S/C10H20N2O/c1-9(2,3)12-4-7-8(5-12)10(7,11)6-13/h7-8,13H,4-6,11H2,1-3H3/t7-,8+,10?
InChIKeyINJFAXPCJMNNGR-JWHQNHQBSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 89460481) is [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is CC(C)(C)N1C[C@@H]2[C@H](C1)C2(N)CO.
What is the InChIKey of [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is INJFAXPCJMNNGR-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2,3)12-4-7-8(5-12)10(7,11)6-13/h7-8,13H,4-6,11H2,1-3H3/t7-,8+,10?.
What are the key properties of [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 184.28 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-amino-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 89460481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).