2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane

C49H98N8 — CID 159024555

IUPAC2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/2C13H26N2.C12H24N2.C11H22N2/c1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4/h2*11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyJUCUSCZUWKOORL-UHFFFAOYSA-N
MW799.38 g/mol
LogP7.63
Rot. Bonds8

About 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane (PubChem CID 159024555) has the molecular formula C49H98N8 and a molecular weight of 799.38 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane
PubChem CID159024555
Molecular FormulaC49H98N8
Molecular Weight799.38 g/mol
Exact Mass798.79
IUPAC Name2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/2C13H26N2.C12H24N2.C11H22N2/c1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4/h2*11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyJUCUSCZUWKOORL-UHFFFAOYSA-N
XLogP7.63
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.38
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane with MolForge

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Related Compounds

2,8-Ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane
CID 157335949
Methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 159045726
2,7-Di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 159223030
2,8-Di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane
CID 159787576
2,7-Di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane
CID 162375660
2,7-Di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane
CID 162375903
2,6-Di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
Bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 164070559
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 165028691
2,6-Di(propan-2-yl)-2-azaspiro[3.3]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane
CID 168408040

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane (CID 159024555) is 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane is CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CCN(C(C)C)C2)C1.
What is the InChIKey of 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane?
The InChIKey is JUCUSCZUWKOORL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2.C12H24N2.C11H22N2/c1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4/h2*11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane?
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane has a molecular weight of 799.38 g/mol, XLogP of 7.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 159024555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).