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

C10H19NO — CID 134429387

IUPAC[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCC(C)(C)N1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C10H19NO/c1-10(2,3)11-4-7-8(5-11)9(7)6-12/h7-9,12H,4-6H2,1-3H3/t7-,8+,9?
InChIKeyTYNBYOQPXSZLRO-JVHMLUBASA-N
MW169.27 g/mol
LogP0.95
Rot. Bonds1

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

[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 134429387) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID134429387
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCC(C)(C)N1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C10H19NO/c1-10(2,3)11-4-7-8(5-11)9(7)6-12/h7-9,12H,4-6H2,1-3H3/t7-,8+,9?
InChIKeyTYNBYOQPXSZLRO-JVHMLUBASA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 134429387) is [(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is CC(C)(C)N1C[C@@H]2C(CO)[C@@H]2C1.
What is the InChIKey of [(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is TYNBYOQPXSZLRO-JVHMLUBASA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)11-4-7-8(5-11)9(7)6-12/h7-9,12H,4-6H2,1-3H3/t7-,8+,9?.
What are the key properties of [(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 134429387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).