3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)

C105H205N13 — CID 160574455

IUPAC3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)
SMILESCC(C)C1C2CN(C(C)C)CC21.CC(C)C1CC12CN(C(C)C)C2.CC(C)C1CC12CN(C(C)C)C2.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C13H26N2.2C12H24N2.2C12H23N.C11H22N2.3C11H21N/c1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;2*1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;2*1-8(2)10-5-11(10)6-12(7-11)9(3)4;1-7(2)11-9-5-12(8(3)4)6-10(9)11/h11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-11H,5-6H2,1-4H3
InChIKeyRAYSDGOLJRKMNO-UHFFFAOYSA-N
MW1649.89 g/mol
LogP19.74
Rot. Bonds18

About 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)

3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) (PubChem CID 160574455) has the molecular formula C105H205N13 and a molecular weight of 1649.89 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane).

Molecular Properties

Compound Name3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)
PubChem CID160574455
Molecular FormulaC105H205N13
Molecular Weight1649.89 g/mol
Exact Mass1648.64
IUPAC Name3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)
SMILESCC(C)C1C2CN(C(C)C)CC21.CC(C)C1CC12CN(C(C)C)C2.CC(C)C1CC12CN(C(C)C)C2.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C13H26N2.2C12H24N2.2C12H23N.C11H22N2.3C11H21N/c1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;2*1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;2*1-8(2)10-5-11(10)6-12(7-11)9(3)4;1-7(2)11-9-5-12(8(3)4)6-10(9)11/h11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-11H,5-6H2,1-4H3
InChIKeyRAYSDGOLJRKMNO-UHFFFAOYSA-N
XLogP19.74
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001649.89
LogP ≤ 519.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) with MolForge

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Related Compounds

2,6-Dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane;2,7-dimethyl-2,7-diazaspiro[4.4]nonane;bis(2,7-dimethyl-2,7-diazaspiro[3.4]octane);methane
CID 160653378
2,6-Dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane;2,7-dimethyl-2,7-diazaspiro[4.4]nonane;bis(2,7-dimethyl-2,7-diazaspiro[3.4]octane)
CID 162131018

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)?
The IUPAC name of 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) (CID 160574455) is 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane).
What is the SMILES notation for 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)?
The canonical SMILES for 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) is CC(C)C1C2CN(C(C)C)CC21.CC(C)C1CC12CN(C(C)C)C2.CC(C)C1CC12CN(C(C)C)C2.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CCN(C(C)C)C2)C1.
What is the InChIKey of 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)?
The InChIKey is RAYSDGOLJRKMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2C12H24N2.2C12H23N.C11H22N2.3C11H21N/c1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;2*1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;2*1-8(2)10-5-11(10)6-12(7-11)9(3)4;1-7(2)11-9-5-12(8(3)4)6-10(9)11/h11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-11H,5-6H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)?
3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) has a molecular weight of 1649.89 g/mol, XLogP of 19.74, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;bis(2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane);bis(2,5-di(propan-2-yl)-5-azaspiro[2.3]hexane);2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) is sourced from PubChem (CID 160574455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).