2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C24H44N2 — CID 139372459

IUPAC2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2CC2(CC(C)N2C3CC3CC2C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C24H44N2/c1-15(2)25-14-18-13-24(18,21(25)23(7,8)9)12-16(3)26-19-10-17(19)11-20(26)22(4,5)6/h15-21H,10-14H2,1-9H3
InChIKeyGORSFZUXSIZWBE-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.42
Rot. Bonds4

About 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 139372459) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID139372459
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2CC2(CC(C)N2C3CC3CC2C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C24H44N2/c1-15(2)25-14-18-13-24(18,21(25)23(7,8)9)12-16(3)26-19-10-17(19)11-20(26)22(4,5)6/h15-21H,10-14H2,1-9H3
InChIKeyGORSFZUXSIZWBE-UHFFFAOYSA-N
XLogP5.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 139372459) is 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)N1CC2CC2(CC(C)N2C3CC3CC2C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is GORSFZUXSIZWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2/c1-15(2)25-14-18-13-24(18,21(25)23(7,8)9)12-16(3)26-19-10-17(19)11-20(26)22(4,5)6/h15-21H,10-14H2,1-9H3.
What are the key properties of 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 360.63 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 139372459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).