2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane

C94H182N6 — CID 161280540

IUPAC2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CCN(C(C)C)C2.CC(C)C1CCC2(CC1)CCN(C(C)C)CC2.CC(C)C1CCC2(CCCN(C(C)C)C2)CC1.CC(C)C1CCCC2(CCCN(C(C)C)C2)C1.CC(C)C1CCCC2(CCN(C(C)C)C2)C1.CC(C)C1CCCC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/4C16H31N.2C15H29N/c1-13(2)15-6-9-16(10-7-15)8-5-11-17(12-16)14(3)4;1-13(2)15-5-7-16(8-6-15)9-11-17(12-10-16)14(3)4;1-13(2)15-7-5-8-16(11-15)9-6-10-17(12-16)14(3)4;1-13(2)15-6-5-7-16(12-15)8-10-17(11-9-16)14(3)4;1-12(2)14-5-7-15(8-6-14)9-10-16(11-15)13(3)4;1-12(2)14-6-5-7-15(10-14)8-9-16(11-15)13(3)4/h4*13-15H,5-12H2,1-4H3;2*12-14H,5-11H2,1-4H3
InChIKeyVFAFMVQOKZCYSM-UHFFFAOYSA-N
MW1396.53 g/mol
LogP25.16
Rot. Bonds12

About 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane

2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane (PubChem CID 161280540) has the molecular formula C94H182N6 and a molecular weight of 1396.53 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane
PubChem CID161280540
Molecular FormulaC94H182N6
Molecular Weight1396.53 g/mol
Exact Mass1395.44
IUPAC Name2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CCN(C(C)C)C2.CC(C)C1CCC2(CC1)CCN(C(C)C)CC2.CC(C)C1CCC2(CCCN(C(C)C)C2)CC1.CC(C)C1CCCC2(CCCN(C(C)C)C2)C1.CC(C)C1CCCC2(CCN(C(C)C)C2)C1.CC(C)C1CCCC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/4C16H31N.2C15H29N/c1-13(2)15-6-9-16(10-7-15)8-5-11-17(12-16)14(3)4;1-13(2)15-5-7-16(8-6-15)9-11-17(12-10-16)14(3)4;1-13(2)15-7-5-8-16(11-15)9-6-10-17(12-16)14(3)4;1-13(2)15-6-5-7-16(12-15)8-10-17(11-9-16)14(3)4;1-12(2)14-5-7-15(8-6-14)9-10-16(11-15)13(3)4;1-12(2)14-6-5-7-15(10-14)8-9-16(11-15)13(3)4/h4*13-15H,5-12H2,1-4H3;2*12-14H,5-11H2,1-4H3
InChIKeyVFAFMVQOKZCYSM-UHFFFAOYSA-N
XLogP25.16
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001396.53
LogP ≤ 525.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane with MolForge

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Related Compounds

1-Methyl-4-[3,5,7-tris(1-methylpiperidin-4-yl)-1-adamantyl]piperidine
CID 60060475
2,9-Di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane
CID 157646351
1,3-Di(propan-2-yl)piperidine;2-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 158532921
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane
CID 158654218
Methane;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-3-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine
CID 158911343
3,9-Dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane
CID 159107332
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;ethane
CID 159665952
1-Ethyl-1-[[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium;1-ethyl-1-[[4-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]cyclohexyl]methyl]pyrrolidin-1-ium;1-methyl-1-[[4-[(1-methylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium
CID 161164935
3,3-Di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)
CID 167589452

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane?
The IUPAC name of 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane (CID 161280540) is 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane is CC(C)C1CCC2(CC1)CCN(C(C)C)C2.CC(C)C1CCC2(CC1)CCN(C(C)C)CC2.CC(C)C1CCC2(CCCN(C(C)C)C2)CC1.CC(C)C1CCCC2(CCCN(C(C)C)C2)C1.CC(C)C1CCCC2(CCN(C(C)C)C2)C1.CC(C)C1CCCC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane?
The InChIKey is VFAFMVQOKZCYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H31N.2C15H29N/c1-13(2)15-6-9-16(10-7-15)8-5-11-17(12-16)14(3)4;1-13(2)15-5-7-16(8-6-15)9-11-17(12-10-16)14(3)4;1-13(2)15-7-5-8-16(11-15)9-6-10-17(12-16)14(3)4;1-13(2)15-6-5-7-16(12-15)8-10-17(11-9-16)14(3)4;1-12(2)14-5-7-15(8-6-14)9-10-16(11-15)13(3)4;1-12(2)14-6-5-7-15(10-14)8-9-16(11-15)13(3)4/h4*13-15H,5-12H2,1-4H3;2*12-14H,5-11H2,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane?
2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane has a molecular weight of 1396.53 g/mol, XLogP of 25.16, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 161280540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).