(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol

C10H19NO — CID 105434245

IUPAC(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
SMILESCC(C)(C)N1CC2C(CO)C2C1
InChIInChI=1S/C10H19NO/c1-10(2,3)11-4-7-8(5-11)9(7)6-12/h7-9,12H,4-6H2,1-3H3
InChIKeyTYNBYOQPXSZLRO-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.95
Rot. Bonds1

About (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol

(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol (PubChem CID 105434245) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
PubChem CID105434245
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
SMILESCC(C)(C)N1CC2C(CO)C2C1
InChIInChI=1S/C10H19NO/c1-10(2,3)11-4-7-8(5-11)9(7)6-12/h7-9,12H,4-6H2,1-3H3
InChIKeyTYNBYOQPXSZLRO-UHFFFAOYSA-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 (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
The IUPAC name of (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol (CID 105434245) is (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol.
What is the SMILES notation for (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
The canonical SMILES for (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol is CC(C)(C)N1CC2C(CO)C2C1.
What is the InChIKey of (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
The InChIKey is TYNBYOQPXSZLRO-UHFFFAOYSA-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.
What are the key properties of (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
(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 (3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol is sourced from PubChem (CID 105434245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).