(1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane

C9H17N — CID 167420955

IUPAC(1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)CN1CC[C@@H]2C[C@@H]21
InChIInChI=1S/C9H17N/c1-7(2)6-10-4-3-8-5-9(8)10/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyAFHQRSRJFUNWBO-BDAKNGLRSA-N
MW139.24 g/mol
LogP1.74
Rot. Bonds2

About (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane

(1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane (PubChem CID 167420955) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane
PubChem CID167420955
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)CN1CC[C@@H]2C[C@@H]21
InChIInChI=1S/C9H17N/c1-7(2)6-10-4-3-8-5-9(8)10/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyAFHQRSRJFUNWBO-BDAKNGLRSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane (CID 167420955) is (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane is CC(C)CN1CC[C@@H]2C[C@@H]21.
What is the InChIKey of (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is AFHQRSRJFUNWBO-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)6-10-4-3-8-5-9(8)10/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane?
(1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 139.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 167420955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).