2-azabicyclo[10.3.2]heptadecane

C16H31N — CID 57212702

IUPAC2-azabicyclo[10.3.2]heptadecane
SMILESC1CCCCNC2CCCC(CCCC1)CC2
InChIInChI=1S/C16H31N/c1-2-4-6-9-15-10-8-11-16(13-12-15)17-14-7-5-3-1/h15-17H,1-14H2
InChIKeyHEHIBWHHTIQRDD-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.66
Rot. Bonds

About 2-azabicyclo[10.3.2]heptadecane

2-azabicyclo[10.3.2]heptadecane (PubChem CID 57212702) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-azabicyclo[10.3.2]heptadecane.

Molecular Properties

Compound Name2-azabicyclo[10.3.2]heptadecane
PubChem CID57212702
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-azabicyclo[10.3.2]heptadecane
SMILESC1CCCCNC2CCCC(CCCC1)CC2
InChIInChI=1S/C16H31N/c1-2-4-6-9-15-10-8-11-16(13-12-15)17-14-7-5-3-1/h15-17H,1-14H2
InChIKeyHEHIBWHHTIQRDD-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[10.3.2]heptadecane?
The IUPAC name of 2-azabicyclo[10.3.2]heptadecane (CID 57212702) is 2-azabicyclo[10.3.2]heptadecane.
What is the SMILES notation for 2-azabicyclo[10.3.2]heptadecane?
The canonical SMILES for 2-azabicyclo[10.3.2]heptadecane is C1CCCCNC2CCCC(CCCC1)CC2.
What is the InChIKey of 2-azabicyclo[10.3.2]heptadecane?
The InChIKey is HEHIBWHHTIQRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-2-4-6-9-15-10-8-11-16(13-12-15)17-14-7-5-3-1/h15-17H,1-14H2.
What are the key properties of 2-azabicyclo[10.3.2]heptadecane?
2-azabicyclo[10.3.2]heptadecane has a molecular weight of 237.43 g/mol, XLogP of 4.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[10.3.2]heptadecane is sourced from PubChem (CID 57212702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).