(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane

C13H25N — CID 170300237

IUPAC(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)[C@@H]1[C@@H]2[C@H](CN1C(C)C)C2(C)C
InChIInChI=1S/C13H25N/c1-8(2)12-11-10(13(11,5)6)7-14(12)9(3)4/h8-12H,7H2,1-6H3/t10-,11-,12+/m0/s1
InChIKeyIKGLKWINYSYSNX-SDDRHHMPSA-N
MW195.35 g/mol
LogP3.01
Rot. Bonds2

About (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane

(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 170300237) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID170300237
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)[C@@H]1[C@@H]2[C@H](CN1C(C)C)C2(C)C
InChIInChI=1S/C13H25N/c1-8(2)12-11-10(13(11,5)6)7-14(12)9(3)4/h8-12H,7H2,1-6H3/t10-,11-,12+/m0/s1
InChIKeyIKGLKWINYSYSNX-SDDRHHMPSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane (CID 170300237) is (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane is CC(C)[C@@H]1[C@@H]2[C@H](CN1C(C)C)C2(C)C.
What is the InChIKey of (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is IKGLKWINYSYSNX-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H25N/c1-8(2)12-11-10(13(11,5)6)7-14(12)9(3)4/h8-12H,7H2,1-6H3/t10-,11-,12+/m0/s1.
What are the key properties of (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane?
(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 195.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 170300237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).