16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane

C26H49N — CID 137397804

IUPAC16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane
SMILESC1CCCCCC(C2CCCCCCC3CCCCCCNC32)CCCC1
InChIInChI=1S/C26H49N/c1-2-4-6-12-18-23(17-11-5-3-1)25-21-15-8-7-13-19-24-20-14-9-10-16-22-27-26(24)25/h23-27H,1-22H2
InChIKeyAUUJDYHMSSXSJH-UHFFFAOYSA-N
MW375.69 g/mol
LogP8.03
Rot. Bonds1

About 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane

16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane (PubChem CID 137397804) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane.

Molecular Properties

Compound Name16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane
PubChem CID137397804
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC Name16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane
SMILESC1CCCCCC(C2CCCCCCC3CCCCCCNC32)CCCC1
InChIInChI=1S/C26H49N/c1-2-4-6-12-18-23(17-11-5-3-1)25-21-15-8-7-13-19-24-20-14-9-10-16-22-27-26(24)25/h23-27H,1-22H2
InChIKeyAUUJDYHMSSXSJH-UHFFFAOYSA-N
XLogP8.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane?
The IUPAC name of 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane (CID 137397804) is 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane.
What is the SMILES notation for 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane?
The canonical SMILES for 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane is C1CCCCCC(C2CCCCCCC3CCCCCCNC32)CCCC1.
What is the InChIKey of 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane?
The InChIKey is AUUJDYHMSSXSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N/c1-2-4-6-12-18-23(17-11-5-3-1)25-21-15-8-7-13-19-24-20-14-9-10-16-22-27-26(24)25/h23-27H,1-22H2.
What are the key properties of 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane?
16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane has a molecular weight of 375.69 g/mol, XLogP of 8.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane is sourced from PubChem (CID 137397804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).