2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane

C127H295N13 — CID 159985914

IUPAC2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane
SMILESC1CC2(CCN1)CCNC2.C1CC2(CCN1)CCNC2.C1CC2(CCN1)CCNCC2.C1CC2(CCNC2)CN1.C1CCC2(CC1)CCNC2.C1CNC2(C1)CCNC2.C1CNCC2(C1)CCNCC2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C
InChIInChI=1S/2C9H18N2.C9H17N.2C8H16N2.2C7H14N2.7C6H14.14C2H6/c1-5-10-6-2-9(1)3-7-11-8-4-9;1-2-9(8-11-5-1)3-6-10-7-4-9;1-2-4-9(5-3-1)6-7-10-8-9;2*1-4-9-5-2-8(1)3-6-10-7-8;1-3-8-5-7(1)2-4-9-6-7;1-2-7(9-4-1)3-5-8-6-7;7*1-5-6(2,3)4;14*1-2/h2*10-11H,1-8H2;10H,1-8H2;2*9-10H,1-7H2;2*8-9H,1-6H2;7*5H2,1-4H3;14*1-2H3
InChIKeyOGIHHNOINIWHHE-UHFFFAOYSA-N
MW2004.85 g/mol
LogP35.63
Rot. Bonds

About 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane

2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane (PubChem CID 159985914) has the molecular formula C127H295N13 and a molecular weight of 2004.85 g/mol. Its IUPAC name is 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane.

Molecular Properties

Compound Name2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane
PubChem CID159985914
Molecular FormulaC127H295N13
Molecular Weight2004.85 g/mol
Exact Mass2003.35
IUPAC Name2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane
SMILESC1CC2(CCN1)CCNC2.C1CC2(CCN1)CCNC2.C1CC2(CCN1)CCNCC2.C1CC2(CCNC2)CN1.C1CCC2(CC1)CCNC2.C1CNC2(C1)CCNC2.C1CNCC2(C1)CCNCC2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C
InChIInChI=1S/2C9H18N2.C9H17N.2C8H16N2.2C7H14N2.7C6H14.14C2H6/c1-5-10-6-2-9(1)3-7-11-8-4-9;1-2-9(8-11-5-1)3-6-10-7-4-9;1-2-4-9(5-3-1)6-7-10-8-9;2*1-4-9-5-2-8(1)3-6-10-7-8;1-3-8-5-7(1)2-4-9-6-7;1-2-7(9-4-1)3-5-8-6-7;7*1-5-6(2,3)4;14*1-2/h2*10-11H,1-8H2;10H,1-8H2;2*9-10H,1-7H2;2*8-9H,1-6H2;7*5H2,1-4H3;14*1-2H3
InChIKeyOGIHHNOINIWHHE-UHFFFAOYSA-N
XLogP35.63
TPSA156.39 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002004.85
LogP ≤ 535.63
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Analyze 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane with MolForge

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Related Compounds

6,6-Difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.3]heptan-7-amine;2-propan-2-yl-2-azaspiro[5.5]undecane;7-propan-2-yl-2,7-diazaspiro[4.5]decane;9-propan-2-yl-1,9-diazaspiro[4.5]decane;6-propan-2-yl-1,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,8-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.5]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane;8-propan-2-yl-1,8-diazaspiro[3.5]nonane;2-propan-2-yl-2,5-diazaspiro[3.4]octane;2-propan-2-yl-2,7-diazaspiro[3.4]octane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;8-propan-2-yl-1,8-diazaspiro[5.5]undecane
CID 163669542
2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;(1-tert-butylpiperidin-4-yl)methanamine;1-(1-tert-butylpiperidin-4-yl)-N-methylmethanamine;N,2-dimethyl-N-(piperidin-4-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 157518255
8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine
CID 157559876
8-Tert-butyl-2,8-diazaspiro[4.5]decane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;2,9-diazaspiro[4.5]decane;2,7-diazaspiro[4.4]nonane;octakis(2-methylpropane);2-propan-2-yl-2,8-diazaspiro[5.5]undecane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 157824315
2-(2,2-Dimethylpropyl)-8-methyl-2,8-diazaspiro[4.5]decane;2-(2,2-dimethylpropyl)-9-methyl-2,9-diazaspiro[4.5]decane;8-(2,2-dimethylpropyl)-2-methyl-2,8-diazaspiro[4.5]decane;2-(2,2-dimethylpropyl)-7-methyl-2,7-diazaspiro[4.4]nonane;7-(2,2-dimethylpropyl)-1-methyl-1,7-diazaspiro[4.4]nonane;3-(2,2-dimethylpropyl)-9-methyl-3,9-diazaspiro[5.5]undecane;9-(2,2-dimethylpropyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 157922289
Bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);2,6-dimethyl-2,6-diazaspiro[4.5]decane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane)
CID 158346002
1,8-Dimethyl-1,8-diazaspiro[4.5]decane;bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);bis(1,10-dimethyl-1,10-diazaspiro[4.5]decane);bis(2,6-dimethyl-2,6-diazaspiro[4.5]decane);bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane);ethane
CID 158518567
2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 158727913
Tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane
CID 159046914
1,8-Dimethyl-1,8-diazaspiro[4.5]decane;bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);bis(1,10-dimethyl-1,10-diazaspiro[4.5]decane);bis(2,6-dimethyl-2,6-diazaspiro[4.5]decane);bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane);ethane
CID 159373857
1,8-Di(propan-2-yl)-1,8-diazaspiro[4.5]decane;1,9-di(propan-2-yl)-1,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[4.5]decane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;1,7-di(propan-2-yl)-1,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 159997139
2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N-(cyclohexylmethyl)-N,2-dimethylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine
CID 160226189

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane?
The IUPAC name of 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane (CID 159985914) is 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane.
What is the SMILES notation for 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane?
The canonical SMILES for 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane is C1CC2(CCN1)CCNC2.C1CC2(CCN1)CCNC2.C1CC2(CCN1)CCNCC2.C1CC2(CCNC2)CN1.C1CCC2(CC1)CCNC2.C1CNC2(C1)CCNC2.C1CNCC2(C1)CCNCC2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.
What is the InChIKey of 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane?
The InChIKey is OGIHHNOINIWHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.C9H17N.2C8H16N2.2C7H14N2.7C6H14.14C2H6/c1-5-10-6-2-9(1)3-7-11-8-4-9;1-2-9(8-11-5-1)3-6-10-7-4-9;1-2-4-9(5-3-1)6-7-10-8-9;2*1-4-9-5-2-8(1)3-6-10-7-8;1-3-8-5-7(1)2-4-9-6-7;1-2-7(9-4-1)3-5-8-6-7;7*1-5-6(2,3)4;14*1-2/h2*10-11H,1-8H2;10H,1-8H2;2*9-10H,1-7H2;2*8-9H,1-6H2;7*5H2,1-4H3;14*1-2H3.
What are the key properties of 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane?
2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane has a molecular weight of 2004.85 g/mol, XLogP of 35.63, 0 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decane;bis(2,8-diazaspiro[4.5]decane);1,7-diazaspiro[4.4]nonane;2,7-diazaspiro[4.4]nonane;2,9-diazaspiro[5.5]undecane;3,9-diazaspiro[5.5]undecane;heptakis(2,2-dimethylbutane);ethane is sourced from PubChem (CID 159985914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).