2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane

C15H25NO — CID 112747563

IUPAC2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane
SMILESC1CCCC(OC2C3CC4CNC2C4C3)CC1
InChIInChI=1S/C15H25NO/c1-2-4-6-12(5-3-1)17-15-10-7-11-9-16-14(15)13(11)8-10/h10-16H,1-9H2
InChIKeyNNUBZOKDTSBEJJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds2

About 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane

2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane (PubChem CID 112747563) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane
PubChem CID112747563
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane
SMILESC1CCCC(OC2C3CC4CNC2C4C3)CC1
InChIInChI=1S/C15H25NO/c1-2-4-6-12(5-3-1)17-15-10-7-11-9-16-14(15)13(11)8-10/h10-16H,1-9H2
InChIKeyNNUBZOKDTSBEJJ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane (CID 112747563) is 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane is C1CCCC(OC2C3CC4CNC2C4C3)CC1.
What is the InChIKey of 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane?
The InChIKey is NNUBZOKDTSBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-4-6-12(5-3-1)17-15-10-7-11-9-16-14(15)13(11)8-10/h10-16H,1-9H2.
What are the key properties of 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane?
2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane has a molecular weight of 235.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 112747563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).