(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane

C9H17N — CID 68574217

IUPAC(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)[C@@H]1[C@H]2C[C@H]2CN1C
InChIInChI=1S/C9H17N/c1-6(2)9-8-4-7(8)5-10(9)3/h6-9H,4-5H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyWRPWPLDVRVSKHC-XHNCKOQMSA-N
MW139.24 g/mol
LogP1.59
Rot. Bonds1

About (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane

(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 68574217) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID68574217
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)[C@@H]1[C@H]2C[C@H]2CN1C
InChIInChI=1S/C9H17N/c1-6(2)9-8-4-7(8)5-10(9)3/h6-9H,4-5H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyWRPWPLDVRVSKHC-XHNCKOQMSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 68574217) is (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)[C@@H]1[C@H]2C[C@H]2CN1C.
What is the InChIKey of (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is WRPWPLDVRVSKHC-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H17N/c1-6(2)9-8-4-7(8)5-10(9)3/h6-9H,4-5H2,1-3H3/t7-,8-,9+/m0/s1.
What are the key properties of (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane?
(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 139.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 68574217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).