bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane

C117H252N18 — CID 159456154

IUPACbis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCC2(CC1)CCN(C)CC2.CN1CCC2(CCCCN2C)CC1.CN1CCC2(CCCCN2C)CC1.CN1CCC2(CCCN(C)C2)CC1.CN1CCC2(CCCN(C)C2)CC1.CN1CCCC2(CCCCN2C)C1.CN1CCCC2(CCCCN2C)C1.CN1CCCC2(CCCN(C)C2)C1.CN1CCCC2(CCCN(C)C2)C1
InChIInChI=1S/9C11H22N2.9C2H6/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;2*1-12-7-3-5-11(9-12)6-4-8-13(2)10-11;2*1-12-8-5-11(6-9-12)4-3-7-13(2)10-11;2*1-12-8-5-7-11(10-12)6-3-4-9-13(11)2;2*1-12-9-6-11(7-10-12)5-3-4-8-13(11)2;9*1-2/h9*3-10H2,1-2H3;9*1-2H3
InChIKeyLTZOQGICYZGMFP-UHFFFAOYSA-N
MW1911.43 g/mol
LogP22.62
Rot. Bonds

About bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane

bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane (PubChem CID 159456154) has the molecular formula C117H252N18 and a molecular weight of 1911.43 g/mol. Its IUPAC name is bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane.

Molecular Properties

Compound Namebis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane
PubChem CID159456154
Molecular FormulaC117H252N18
Molecular Weight1911.43 g/mol
Exact Mass1910.03
IUPAC Namebis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCC2(CC1)CCN(C)CC2.CN1CCC2(CCCCN2C)CC1.CN1CCC2(CCCCN2C)CC1.CN1CCC2(CCCN(C)C2)CC1.CN1CCC2(CCCN(C)C2)CC1.CN1CCCC2(CCCCN2C)C1.CN1CCCC2(CCCCN2C)C1.CN1CCCC2(CCCN(C)C2)C1.CN1CCCC2(CCCN(C)C2)C1
InChIInChI=1S/9C11H22N2.9C2H6/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;2*1-12-7-3-5-11(9-12)6-4-8-13(2)10-11;2*1-12-8-5-11(6-9-12)4-3-7-13(2)10-11;2*1-12-8-5-7-11(10-12)6-3-4-9-13(11)2;2*1-12-9-6-11(7-10-12)5-3-4-8-13(11)2;9*1-2/h9*3-10H2,1-2H3;9*1-2H3
InChIKeyLTZOQGICYZGMFP-UHFFFAOYSA-N
XLogP22.62
TPSA58.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001911.43
LogP ≤ 522.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane with MolForge

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Related Compounds

1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
1-Hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831551
1-Hexadecyl-4-[3-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2-methylpropyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831554
1-tert-butyl-4-[1-[5-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,5-trimethylhexyl]piperidin-4-yl]piperazine
CID 134339698
6-[(3S)-3-[[4-(4-tert-butylpiperazin-1-yl)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]-1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[5-[4-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]-2,6-diazaspiro[3.3]heptane
CID 134492951
3,9-Dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane
CID 134591073
1-Methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine
CID 135279336
1-Tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine
CID 146369195
3-Tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 146548378
(2R,6S)-1-tert-butyl-2-[2-[1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-[5-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]-6-methylpiperazine
CID 146549605
(2S,6R)-1-tert-butyl-2-[2-[(2R,6S)-1-tert-butyl-6-[2-[(2R,6R)-1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazin-2-yl]ethyl]-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazine
CID 146549768
1-[2,4-Dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane
CID 153398691

Frequently Asked Questions

What is the IUPAC name of bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane?
The IUPAC name of bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane (CID 159456154) is bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane.
What is the SMILES notation for bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane?
The canonical SMILES for bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCC2(CC1)CCN(C)CC2.CN1CCC2(CCCCN2C)CC1.CN1CCC2(CCCCN2C)CC1.CN1CCC2(CCCN(C)C2)CC1.CN1CCC2(CCCN(C)C2)CC1.CN1CCCC2(CCCCN2C)C1.CN1CCCC2(CCCCN2C)C1.CN1CCCC2(CCCN(C)C2)C1.CN1CCCC2(CCCN(C)C2)C1.
What is the InChIKey of bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane?
The InChIKey is LTZOQGICYZGMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/9C11H22N2.9C2H6/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;2*1-12-7-3-5-11(9-12)6-4-8-13(2)10-11;2*1-12-8-5-11(6-9-12)4-3-7-13(2)10-11;2*1-12-8-5-7-11(10-12)6-3-4-9-13(11)2;2*1-12-9-6-11(7-10-12)5-3-4-8-13(11)2;9*1-2/h9*3-10H2,1-2H3;9*1-2H3.
What are the key properties of bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane?
bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane has a molecular weight of 1911.43 g/mol, XLogP of 22.62, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane is sourced from PubChem (CID 159456154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).