4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane

C17H32N2O — CID 174380133

IUPAC4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane
SMILESC1CCCOCCN(C2CC3(CCNCC3)C2)CCC1
InChIInChI=1S/C17H32N2O/c1-2-4-10-19(11-13-20-12-5-3-1)16-14-17(15-16)6-8-18-9-7-17/h16,18H,1-15H2
InChIKeyMNKOTICJWUSFGL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds1

About 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane

4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane (PubChem CID 174380133) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane.

Molecular Properties

Compound Name4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane
PubChem CID174380133
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane
SMILESC1CCCOCCN(C2CC3(CCNCC3)C2)CCC1
InChIInChI=1S/C17H32N2O/c1-2-4-10-19(11-13-20-12-5-3-1)16-14-17(15-16)6-8-18-9-7-17/h16,18H,1-15H2
InChIKeyMNKOTICJWUSFGL-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane?
The IUPAC name of 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane (CID 174380133) is 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane.
What is the SMILES notation for 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane?
The canonical SMILES for 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane is C1CCCOCCN(C2CC3(CCNCC3)C2)CCC1.
What is the InChIKey of 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane?
The InChIKey is MNKOTICJWUSFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-4-10-19(11-13-20-12-5-3-1)16-14-17(15-16)6-8-18-9-7-17/h16,18H,1-15H2.
What are the key properties of 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane?
4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane has a molecular weight of 280.46 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane is sourced from PubChem (CID 174380133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).