tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane

C55H114N4 — CID 161425992

IUPACtetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCCC2(CC2)C1
InChIInChI=1S/3C10H19N.C9H17N.4C4H10/c1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-9(2)11-7-6-10(8-11)4-3-5-10;1-8(2)10-6-5-9(7-10)3-4-9;4*1-4(2)3/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;4*4H,1-3H3
InChIKeyVXJDBAUOIYCAJK-UHFFFAOYSA-N
MW831.54 g/mol
LogP15.34
Rot. Bonds4

About tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane

tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane (PubChem CID 161425992) has the molecular formula C55H114N4 and a molecular weight of 831.54 g/mol. Its IUPAC name is tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Nametetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane
PubChem CID161425992
Molecular FormulaC55H114N4
Molecular Weight831.54 g/mol
Exact Mass830.90
IUPAC Nametetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCCC2(CC2)C1
InChIInChI=1S/3C10H19N.C9H17N.4C4H10/c1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-9(2)11-7-6-10(8-11)4-3-5-10;1-8(2)10-6-5-9(7-10)3-4-9;4*1-4(2)3/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;4*4H,1-3H3
InChIKeyVXJDBAUOIYCAJK-UHFFFAOYSA-N
XLogP15.34
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.54
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane with MolForge

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Launch Full Analysis

Related Compounds

1-Tert-butyl-3-[3-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-3-methylbutyl]-3-azabicyclo[3.1.0]hexane
CID 126539906
3-[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-5-methylhexyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 126657812
3-[4-(3-Azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 126657940
6-(3,3-Dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane
CID 126657948
1-Tert-butyl-3-cyclobutyl-5-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]-3-azabicyclo[3.1.0]hexane
CID 129145304
3-[4-(3-Azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 129146196
1-Tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 129267365
1-Tert-butyl-3-[4-(3-cyclobutyl-3-azabicyclo[3.1.0]hexan-1-yl)-4-methylpentyl]-3-azabicyclo[3.1.0]hexane
CID 134171476
2-Tert-butyl-1-[2-(3-tert-butyl-2-azabicyclo[3.1.0]hexan-2-yl)propyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 139372459
(1S,5R)-2,3-di(propan-2-yl)-6-[2-[(1R,3S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]propyl]-2-azabicyclo[3.1.0]hexane
CID 146374943
(3R)-2-ethyl-8-[5-[(3S)-8-ethyl-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]pentan-2-yl]-3-methyl-2,8-diazaspiro[4.5]decane
CID 156191330
2,8-Di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane
CID 156709747

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane?
The IUPAC name of tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane (CID 161425992) is tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane.
What is the SMILES notation for tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane?
The canonical SMILES for tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCCC2(CC2)C1.
What is the InChIKey of tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane?
The InChIKey is VXJDBAUOIYCAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H19N.C9H17N.4C4H10/c1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-9(2)11-7-6-10(8-11)4-3-5-10;1-8(2)10-6-5-9(7-10)3-4-9;4*1-4(2)3/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;4*4H,1-3H3.
What are the key properties of tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane?
tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane has a molecular weight of 831.54 g/mol, XLogP of 15.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane is sourced from PubChem (CID 161425992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).