2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane

C24H41N3 — CID 135197149

IUPAC2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane
SMILESCC(C)N1CCCC2(CC2CC(C)N2CCC3C(CN4CC5CC5C4)C32)C1
InChIInChI=1S/C24H41N3/c1-16(2)26-7-4-6-24(15-26)11-20(24)9-17(3)27-8-5-21-22(23(21)27)14-25-12-18-10-19(18)13-25/h16-23H,4-15H2,1-3H3
InChIKeyQKHWBBAYSWJGJM-UHFFFAOYSA-N
MW371.61 g/mol
LogP3.55
Rot. Bonds6

About 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane

2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane (PubChem CID 135197149) has the molecular formula C24H41N3 and a molecular weight of 371.61 g/mol. Its IUPAC name is 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane
PubChem CID135197149
Molecular FormulaC24H41N3
Molecular Weight371.61 g/mol
Exact Mass371.33
IUPAC Name2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane
SMILESCC(C)N1CCCC2(CC2CC(C)N2CCC3C(CN4CC5CC5C4)C32)C1
InChIInChI=1S/C24H41N3/c1-16(2)26-7-4-6-24(15-26)11-20(24)9-17(3)27-8-5-21-22(23(21)27)14-25-12-18-10-19(18)13-25/h16-23H,4-15H2,1-3H3
InChIKeyQKHWBBAYSWJGJM-UHFFFAOYSA-N
XLogP3.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane?
The IUPAC name of 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane (CID 135197149) is 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane.
What is the SMILES notation for 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane?
The canonical SMILES for 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane is CC(C)N1CCCC2(CC2CC(C)N2CCC3C(CN4CC5CC5C4)C32)C1.
What is the InChIKey of 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane?
The InChIKey is QKHWBBAYSWJGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3/c1-16(2)26-7-4-6-24(15-26)11-20(24)9-17(3)27-8-5-21-22(23(21)27)14-25-12-18-10-19(18)13-25/h16-23H,4-15H2,1-3H3.
What are the key properties of 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane?
2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane has a molecular weight of 371.61 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane is sourced from PubChem (CID 135197149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).