5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane

C221H473N31OS2 — CID 162019302

IUPAC5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane
SMILESC1CC2(C1)CCNCC2.C1CC2(CCN1)CNCCS2.C1CC2(CCN1)CNCN2.C1CCC2(C1)CCN2.C1CCC2(C1)CNC2.C1CCC2(CC1)CCCCN2.C1CCC2(CC1)CCCCN2.C1CCC2(CC1)CNCCS2.C1CCC2(CCC2)NC1.C1CCC2(CCCN2)NC1.C1CCC2(CCNCC2)NC1.C1CCC2(CCNCC2)NC1.C1CCC2(CCNCC2)OC1.C1CNC2(C1)CCCN2.C1CNC2(C1)CCN2.C1CNC2(C1)CCNC2.C1CNC2(C1)CCNCC2.C1CNCC2(C1)CCC2.C1CNCC2(C1)CCC2.C1CNCC2(C1)CCCN2.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/2C10H19N.2C9H18N2.C9H17NO.C9H17NS.C8H16N2S.3C8H16N2.4C8H15N.C7H15N3.2C7H14N2.2C7H13N.C6H12N2.20C3H8/c2*1-2-6-10(7-3-1)8-4-5-9-11-10;2*1-2-6-11-9(3-1)4-7-10-8-5-9;1-2-8-11-9(3-1)4-6-10-7-5-9;1-2-4-9(5-3-1)8-10-6-7-11-9;1-3-9-4-2-8(1)7-10-5-6-11-8;1-3-8(7-9-5-1)4-2-6-10-8;1-2-8(10-5-1)3-6-9-7-4-8;1-2-6-9-8(4-1)5-3-7-10-8;2*1-3-8(4-1)5-2-6-9-7-8;1-2-7-9-8(4-1)5-3-6-8;1-2-8(3-1)4-6-9-7-5-8;1-3-8-4-2-7(1)5-9-6-10-7;1-3-7(8-5-1)4-2-6-9-7;1-2-7(9-4-1)3-5-8-6-7;1-2-4-7(3-1)5-8-6-7;1-2-4-7(3-1)5-6-8-7;1-2-6(7-4-1)3-5-8-6;20*1-3-2/h2*11H,1-9H2;2*10-11H,1-8H2;2*10H,1-8H2;9-10H,1-7H2;3*9-10H,1-7H2;4*9H,1-7H2;8-10H,1-6H2;2*8-9H,1-6H2;2*8H,1-6H2;7-8H,1-5H2;20*3H2,1-2H3
InChIKeyYUNNAULPBKSJJP-UHFFFAOYSA-N
MW3645.56 g/mol
LogP49.23
Rot. Bonds

About 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane

5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane (PubChem CID 162019302) has the molecular formula C221H473N31OS2 and a molecular weight of 3645.56 g/mol. Its IUPAC name is 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane.

Molecular Properties

Compound Name5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane
PubChem CID162019302
Molecular FormulaC221H473N31OS2
Molecular Weight3645.56 g/mol
Exact Mass3642.74
IUPAC Name5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane
SMILESC1CC2(C1)CCNCC2.C1CC2(CCN1)CNCCS2.C1CC2(CCN1)CNCN2.C1CCC2(C1)CCN2.C1CCC2(C1)CNC2.C1CCC2(CC1)CCCCN2.C1CCC2(CC1)CCCCN2.C1CCC2(CC1)CNCCS2.C1CCC2(CCC2)NC1.C1CCC2(CCCN2)NC1.C1CCC2(CCNCC2)NC1.C1CCC2(CCNCC2)NC1.C1CCC2(CCNCC2)OC1.C1CNC2(C1)CCCN2.C1CNC2(C1)CCN2.C1CNC2(C1)CCNC2.C1CNC2(C1)CCNCC2.C1CNCC2(C1)CCC2.C1CNCC2(C1)CCC2.C1CNCC2(C1)CCCN2.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/2C10H19N.2C9H18N2.C9H17NO.C9H17NS.C8H16N2S.3C8H16N2.4C8H15N.C7H15N3.2C7H14N2.2C7H13N.C6H12N2.20C3H8/c2*1-2-6-10(7-3-1)8-4-5-9-11-10;2*1-2-6-11-9(3-1)4-7-10-8-5-9;1-2-8-11-9(3-1)4-6-10-7-5-9;1-2-4-9(5-3-1)8-10-6-7-11-9;1-3-9-4-2-8(1)7-10-5-6-11-8;1-3-8(7-9-5-1)4-2-6-10-8;1-2-8(10-5-1)3-6-9-7-4-8;1-2-6-9-8(4-1)5-3-7-10-8;2*1-3-8(4-1)5-2-6-9-7-8;1-2-7-9-8(4-1)5-3-6-8;1-2-8(3-1)4-6-9-7-5-8;1-3-8-4-2-7(1)5-9-6-10-7;1-3-7(8-5-1)4-2-6-9-7;1-2-7(9-4-1)3-5-8-6-7;1-2-4-7(3-1)5-8-6-7;1-2-4-7(3-1)5-6-8-7;1-2-6(7-4-1)3-5-8-6;20*1-3-2/h2*11H,1-9H2;2*10-11H,1-8H2;2*10H,1-8H2;9-10H,1-7H2;3*9-10H,1-7H2;4*9H,1-7H2;8-10H,1-6H2;2*8-9H,1-6H2;2*8H,1-6H2;7-8H,1-5H2;20*3H2,1-2H3
InChIKeyYUNNAULPBKSJJP-UHFFFAOYSA-N
XLogP49.23
TPSA382.16 Ų
H-Bond Donors31
H-Bond Acceptors34
Rotatable Bonds
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003645.56
LogP ≤ 549.23
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1034

Analyze 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane?
The IUPAC name of 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane (CID 162019302) is 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane.
What is the SMILES notation for 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane?
The canonical SMILES for 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane is C1CC2(C1)CCNCC2.C1CC2(CCN1)CNCCS2.C1CC2(CCN1)CNCN2.C1CCC2(C1)CCN2.C1CCC2(C1)CNC2.C1CCC2(CC1)CCCCN2.C1CCC2(CC1)CCCCN2.C1CCC2(CC1)CNCCS2.C1CCC2(CCC2)NC1.C1CCC2(CCCN2)NC1.C1CCC2(CCNCC2)NC1.C1CCC2(CCNCC2)NC1.C1CCC2(CCNCC2)OC1.C1CNC2(C1)CCCN2.C1CNC2(C1)CCN2.C1CNC2(C1)CCNC2.C1CNC2(C1)CCNCC2.C1CNCC2(C1)CCC2.C1CNCC2(C1)CCC2.C1CNCC2(C1)CCCN2.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane?
The InChIKey is YUNNAULPBKSJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.2C9H18N2.C9H17NO.C9H17NS.C8H16N2S.3C8H16N2.4C8H15N.C7H15N3.2C7H14N2.2C7H13N.C6H12N2.20C3H8/c2*1-2-6-10(7-3-1)8-4-5-9-11-10;2*1-2-6-11-9(3-1)4-7-10-8-5-9;1-2-8-11-9(3-1)4-6-10-7-5-9;1-2-4-9(5-3-1)8-10-6-7-11-9;1-3-9-4-2-8(1)7-10-5-6-11-8;1-3-8(7-9-5-1)4-2-6-10-8;1-2-8(10-5-1)3-6-9-7-4-8;1-2-6-9-8(4-1)5-3-7-10-8;2*1-3-8(4-1)5-2-6-9-7-8;1-2-7-9-8(4-1)5-3-6-8;1-2-8(3-1)4-6-9-7-5-8;1-3-8-4-2-7(1)5-9-6-10-7;1-3-7(8-5-1)4-2-6-9-7;1-2-7(9-4-1)3-5-8-6-7;1-2-4-7(3-1)5-8-6-7;1-2-4-7(3-1)5-6-8-7;1-2-6(7-4-1)3-5-8-6;20*1-3-2/h2*11H,1-9H2;2*10-11H,1-8H2;2*10H,1-8H2;9-10H,1-7H2;3*9-10H,1-7H2;4*9H,1-7H2;8-10H,1-6H2;2*8-9H,1-6H2;2*8H,1-6H2;7-8H,1-5H2;20*3H2,1-2H3.
What are the key properties of 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane?
5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane has a molecular weight of 3645.56 g/mol, XLogP of 49.23, 0 rotatable bonds, 31 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[3.5]nonane;bis(6-azaspiro[3.5]nonane);7-azaspiro[3.5]nonane;1-azaspiro[3.4]octane;2-azaspiro[3.4]octane;bis(1-azaspiro[5.5]undecane);1,8-diazaspiro[4.5]decane;1,9-diazaspiro[4.5]decane;1,10-diazaspiro[4.5]decane;1,6-diazaspiro[4.4]nonane;1,7-diazaspiro[4.4]nonane;1,8-diazaspiro[3.4]octane;bis(1,9-diazaspiro[5.5]undecane);1-oxa-9-azaspiro[5.5]undecane;propane;1-thia-4-azaspiro[5.5]undecane;1-thia-4,9-diazaspiro[5.5]undecane;1,3,8-triazaspiro[4.5]decane is sourced from PubChem (CID 162019302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).