(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane

C38H75N — CID 155003765

IUPAC(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
SMILESCC1CCCCCCCCCCCCCCCC(C)CCCN2CCCCCCCC[C@H]2C(C)(C)CCCC1
InChIInChI=1S/C38H75N/c1-35-27-20-16-12-10-8-6-5-7-9-11-13-17-21-28-36(2)30-26-34-39-33-25-19-15-14-18-22-31-37(39)38(3,4)32-24-23-29-35/h35-37H,5-34H2,1-4H3/t35?,36?,37-/m0/s1
InChIKeyICPZKWKEIMMRJL-FTKNPOSFSA-N
MW546.03 g/mol
LogP12.91
Rot. Bonds

About (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane

(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane (PubChem CID 155003765) has the molecular formula C38H75N and a molecular weight of 546.03 g/mol. Its IUPAC name is (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane.

Molecular Properties

Compound Name(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
PubChem CID155003765
Molecular FormulaC38H75N
Molecular Weight546.03 g/mol
Exact Mass545.59
IUPAC Name(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
SMILESCC1CCCCCCCCCCCCCCCC(C)CCCN2CCCCCCCC[C@H]2C(C)(C)CCCC1
InChIInChI=1S/C38H75N/c1-35-27-20-16-12-10-8-6-5-7-9-11-13-17-21-28-36(2)30-26-34-39-33-25-19-15-14-18-22-31-37(39)38(3,4)32-24-23-29-35/h35-37H,5-34H2,1-4H3/t35?,36?,37-/m0/s1
InChIKeyICPZKWKEIMMRJL-FTKNPOSFSA-N
XLogP12.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.03
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane?
The IUPAC name of (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane (CID 155003765) is (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane.
What is the SMILES notation for (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane?
The canonical SMILES for (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane is CC1CCCCCCCCCCCCCCCC(C)CCCN2CCCCCCCC[C@H]2C(C)(C)CCCC1.
What is the InChIKey of (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane?
The InChIKey is ICPZKWKEIMMRJL-FTKNPOSFSA-N. The full InChI is InChI=1S/C38H75N/c1-35-27-20-16-12-10-8-6-5-7-9-11-13-17-21-28-36(2)30-26-34-39-33-25-19-15-14-18-22-31-37(39)38(3,4)32-24-23-29-35/h35-37H,5-34H2,1-4H3/t35?,36?,37-/m0/s1.
What are the key properties of (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane?
(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane has a molecular weight of 546.03 g/mol, XLogP of 12.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane is sourced from PubChem (CID 155003765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).