2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane

C23H45N — CID 59451216

IUPAC2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
SMILESCC(C)C1CC2N(C(C)C)C(C1)C(C)(C)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C23H45N/c1-15(2)17-13-18-20(5,6)22(9,10)23(11,12)21(7,8)19(14-17)24(18)16(3)4/h15-19H,13-14H2,1-12H3
InChIKeyYWIXITCSXVYQJJ-UHFFFAOYSA-N
MW335.62 g/mol
LogP6.62
Rot. Bonds2

About 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane

2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane (PubChem CID 59451216) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
PubChem CID59451216
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Name2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
SMILESCC(C)C1CC2N(C(C)C)C(C1)C(C)(C)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C23H45N/c1-15(2)17-13-18-20(5,6)22(9,10)23(11,12)21(7,8)19(14-17)24(18)16(3)4/h15-19H,13-14H2,1-12H3
InChIKeyYWIXITCSXVYQJJ-UHFFFAOYSA-N
XLogP6.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane?
The IUPAC name of 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane (CID 59451216) is 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane?
The canonical SMILES for 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane is CC(C)C1CC2N(C(C)C)C(C1)C(C)(C)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane?
The InChIKey is YWIXITCSXVYQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N/c1-15(2)17-13-18-20(5,6)22(9,10)23(11,12)21(7,8)19(14-17)24(18)16(3)4/h15-19H,13-14H2,1-12H3.
What are the key properties of 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane?
2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane has a molecular weight of 335.62 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane is sourced from PubChem (CID 59451216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).