2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane — IUPAC name, SMILES, InChIKey & properties

Name: 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane

2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane (PubChem CID 165040999) has the molecular formula C105H213N27 and a molecular weight of 1854.05 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane.

Molecular Properties

Compound Name	2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane
PubChem CID	165040999
Molecular Formula	C105H213N27
Molecular Weight	1854.05 g/mol
Exact Mass	1852.75
IUPAC Name	2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane
SMILES	C.C.C.C1CC2(C1)CNC2.C1CC2(CCN2)CN1.C1CC2(CCN2)N1.C1CC2(CCNC2)CN1.C1CC2(CN1)CNC2.C1CC2(CNC2)N1.C1CC2(CNC2)N1.C1CCC2(CC1)CCCCN2.C1CCC2(CC1)CCCCN2.C1CCC2(CCCNC2)NC1.C1CNC2(C1)CCCN2.C1CNC2(C1)CCN2.C1CNC2(C1)CCNC2.C1CNC2(C1)CCNC2.C1CNC2(C1)CNC2
InChI	InChI=1S/2C10H19N.C9H18N2.4C7H14N2.4C6H12N2.C6H11N.3C5H10N2.3CH4/c21-2-6-10(7-3-1)8-4-5-9-11-10;1-2-7-11-9(4-1)5-3-6-10-8-9;1-3-8-5-7(1)2-4-9-6-7;1-3-7(8-5-1)4-2-6-9-7;21-2-7(9-4-1)3-5-8-6-7;1-3-7-5-6(1)2-4-8-6;1-2-7-3-6(1)4-8-5-6;1-2-6(7-4-1)3-5-8-6;1-2-6(8-3-1)4-7-5-6;1-2-6(3-1)4-7-5-6;1-3-6-5(1)2-4-7-5;21-2-7-5(1)3-6-4-5;;;/h211H,1-9H2;10-11H,1-8H2;48-9H,1-6H2;47-8H,1-5H2;7H,1-5H2;36-7H,1-4H2;31H4
InChIKey	OCXQZEHLZHGCHV-UHFFFAOYSA-N
XLogP	6.45
TPSA	324.81 Å²
H-Bond Donors	27
H-Bond Acceptors	27
Rotatable Bonds
Heavy Atoms	132
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1854.05
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	27

Analyze 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane?

The IUPAC name of 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane (CID 165040999) is 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane.

What is the SMILES notation for 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane?

The canonical SMILES for 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane is C.C.C.C1CC2(C1)CNC2.C1CC2(CCN2)CN1.C1CC2(CCN2)N1.C1CC2(CCNC2)CN1.C1CC2(CN1)CNC2.C1CC2(CNC2)N1.C1CC2(CNC2)N1.C1CCC2(CC1)CCCCN2.C1CCC2(CC1)CCCCN2.C1CCC2(CCCNC2)NC1.C1CNC2(C1)CCCN2.C1CNC2(C1)CCN2.C1CNC2(C1)CCNC2.C1CNC2(C1)CCNC2.C1CNC2(C1)CNC2.

What is the InChIKey of 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane?

The InChIKey is OCXQZEHLZHGCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.C9H18N2.4C7H14N2.4C6H12N2.C6H11N.3C5H10N2.3CH4/c2*1-2-6-10(7-3-1)8-4-5-9-11-10;1-2-7-11-9(4-1)5-3-6-10-8-9;1-3-8-5-7(1)2-4-9-6-7;1-3-7(8-5-1)4-2-6-9-7;2*1-2-7(9-4-1)3-5-8-6-7;1-3-7-5-6(1)2-4-8-6;1-2-7-3-6(1)4-8-5-6;1-2-6(7-4-1)3-5-8-6;1-2-6(8-3-1)4-7-5-6;1-2-6(3-1)4-7-5-6;1-3-6-5(1)2-4-7-5;2*1-2-7-5(1)3-6-4-5;;;/h2*11H,1-9H2;10-11H,1-8H2;4*8-9H,1-6H2;4*7-8H,1-5H2;7H,1-5H2;3*6-7H,1-4H2;3*1H4.

What are the key properties of 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane?

Where does this data come from?

All data for 2-azaspiro[3.3]heptane;bis(1-azaspiro[5.5]undecane);1,5-diazaspiro[3.3]heptane;bis(1,6-diazaspiro[3.3]heptane);1,6-diazaspiro[4.4]nonane;bis(1,7-diazaspiro[4.4]nonane);2,7-diazaspiro[4.4]nonane;1,7-diazaspiro[3.4]octane;1,8-diazaspiro[3.4]octane;2,5-diazaspiro[3.4]octane;2,7-diazaspiro[3.4]octane;1,8-diazaspiro[5.5]undecane;methane is sourced from PubChem (CID 165040999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).