2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane

C33H65N — CID 139362635

IUPAC2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane
SMILESCC1CCC(C)(C)CC(C)(C)C2C(C(C)C1)C(C)(C)CC(C)CN(C(C)C)C(C)(C)CC2(C)C
InChIInChI=1S/C33H65N/c1-23(2)34-20-25(4)19-30(8,9)27-26(5)18-24(3)16-17-29(6,7)21-31(10,11)28(27)32(12,13)22-33(34,14)15/h23-28H,16-22H2,1-15H3
InChIKeyFWSKPOLLEBKVAK-UHFFFAOYSA-N
MW475.89 g/mol
LogP10.09
Rot. Bonds1

About 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane

2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane (PubChem CID 139362635) has the molecular formula C33H65N and a molecular weight of 475.89 g/mol. Its IUPAC name is 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane.

Molecular Properties

Compound Name2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane
PubChem CID139362635
Molecular FormulaC33H65N
Molecular Weight475.89 g/mol
Exact Mass475.51
IUPAC Name2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane
SMILESCC1CCC(C)(C)CC(C)(C)C2C(C(C)C1)C(C)(C)CC(C)CN(C(C)C)C(C)(C)CC2(C)C
InChIInChI=1S/C33H65N/c1-23(2)34-20-25(4)19-30(8,9)27-26(5)18-24(3)16-17-29(6,7)21-31(10,11)28(27)32(12,13)22-33(34,14)15/h23-28H,16-22H2,1-15H3
InChIKeyFWSKPOLLEBKVAK-UHFFFAOYSA-N
XLogP10.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.89
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane?
The IUPAC name of 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane (CID 139362635) is 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane.
What is the SMILES notation for 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane?
The canonical SMILES for 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane is CC1CCC(C)(C)CC(C)(C)C2C(C(C)C1)C(C)(C)CC(C)CN(C(C)C)C(C)(C)CC2(C)C.
What is the InChIKey of 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane?
The InChIKey is FWSKPOLLEBKVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65N/c1-23(2)34-20-25(4)19-30(8,9)27-26(5)18-24(3)16-17-29(6,7)21-31(10,11)28(27)32(12,13)22-33(34,14)15/h23-28H,16-22H2,1-15H3.
What are the key properties of 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane?
2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane has a molecular weight of 475.89 g/mol, XLogP of 10.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane is sourced from PubChem (CID 139362635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).