9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane

C11H22N2 — CID 167139027

IUPAC9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCCC1CNC2
InChIInChI=1S/C11H22N2/c1-9(2)13-8-10-4-3-5-11(13)7-12-6-10/h9-12H,3-8H2,1-2H3
InChIKeyZCSQNDBBCSUKQZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds1

About 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane

9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane (PubChem CID 167139027) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane
PubChem CID167139027
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCCC1CNC2
InChIInChI=1S/C11H22N2/c1-9(2)13-8-10-4-3-5-11(13)7-12-6-10/h9-12H,3-8H2,1-2H3
InChIKeyZCSQNDBBCSUKQZ-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane (CID 167139027) is 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane is CC(C)N1CC2CCCC1CNC2.
What is the InChIKey of 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane?
The InChIKey is ZCSQNDBBCSUKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)13-8-10-4-3-5-11(13)7-12-6-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane?
9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane has a molecular weight of 182.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-3,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 167139027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).