6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane

C16H28N2 — CID 131990059

IUPAC6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CCC2C1C2C(C)(C)N1CC2CC2C1
InChIInChI=1S/C16H28N2/c1-10(2)18-6-5-13-14(15(13)18)16(3,4)17-8-11-7-12(11)9-17/h10-15H,5-9H2,1-4H3
InChIKeyUNPJIWCYJCVFJL-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.45
Rot. Bonds3

About 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane

6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane (PubChem CID 131990059) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane
PubChem CID131990059
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CCC2C1C2C(C)(C)N1CC2CC2C1
InChIInChI=1S/C16H28N2/c1-10(2)18-6-5-13-14(15(13)18)16(3,4)17-8-11-7-12(11)9-17/h10-15H,5-9H2,1-4H3
InChIKeyUNPJIWCYJCVFJL-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane (CID 131990059) is 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane is CC(C)N1CCC2C1C2C(C)(C)N1CC2CC2C1.
What is the InChIKey of 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane?
The InChIKey is UNPJIWCYJCVFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-10(2)18-6-5-13-14(15(13)18)16(3,4)17-8-11-7-12(11)9-17/h10-15H,5-9H2,1-4H3.
What are the key properties of 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane?
6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane has a molecular weight of 248.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]-2-propan-2-yl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 131990059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).