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

C22H42N2 — CID 161463799

IUPAC(1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)[C@@H]1CC2C[C@@H]2N1C(C)C.CC(C)[C@@H]1C[C@H]2C[C@H]2N1C(C)C
InChIInChI=1S/2C11H21N/c2*1-7(2)10-5-9-6-11(9)12(10)8(3)4/h2*7-11H,5-6H2,1-4H3/t9?,10-,11-;9-,10-,11+/m00/s1
InChIKeyWCDWDNLVNJSLBB-LRGWWFDYSA-N
MW334.59 g/mol
LogP5.03
Rot. Bonds4

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

(1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane (PubChem CID 161463799) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is (1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane
PubChem CID161463799
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name(1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)[C@@H]1CC2C[C@@H]2N1C(C)C.CC(C)[C@@H]1C[C@H]2C[C@H]2N1C(C)C
InChIInChI=1S/2C11H21N/c2*1-7(2)10-5-9-6-11(9)12(10)8(3)4/h2*7-11H,5-6H2,1-4H3/t9?,10-,11-;9-,10-,11+/m00/s1
InChIKeyWCDWDNLVNJSLBB-LRGWWFDYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane (CID 161463799) is (1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane is CC(C)[C@@H]1CC2C[C@@H]2N1C(C)C.CC(C)[C@@H]1C[C@H]2C[C@H]2N1C(C)C.
What is the InChIKey of (1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is WCDWDNLVNJSLBB-LRGWWFDYSA-N. The full InChI is InChI=1S/2C11H21N/c2*1-7(2)10-5-9-6-11(9)12(10)8(3)4/h2*7-11H,5-6H2,1-4H3/t9?,10-,11-;9-,10-,11+/m00/s1.
What are the key properties of (1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
(1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 334.59 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane;(1R,3S,5R)-2,3-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 161463799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).