tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

C71H152N8 — CID 158124161

IUPACtris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/6C9H19N.2C8H17N.CH4/c3*1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2)7-9-5-3-4-6-9;/h3*4-8H2,1-3H3;3*9H,3-8H2,1-2H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;1H4
InChIKeyFRYMXPQNKHALRF-UHFFFAOYSA-N
MW1118.05 g/mol
LogP17.45
Rot. Bonds8

About tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (PubChem CID 158124161) has the molecular formula C71H152N8 and a molecular weight of 1118.05 g/mol. Its IUPAC name is tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Nametris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
PubChem CID158124161
Molecular FormulaC71H152N8
Molecular Weight1118.05 g/mol
Exact Mass1117.21
IUPAC Nametris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/6C9H19N.2C8H17N.CH4/c3*1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2)7-9-5-3-4-6-9;/h3*4-8H2,1-3H3;3*9H,3-8H2,1-2H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;1H4
InChIKeyFRYMXPQNKHALRF-UHFFFAOYSA-N
XLogP17.45
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.05
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157291580
1-Ethyl-4-methylpiperazine;tris(1-ethyl-4-methylpiperidine);bis(1-ethyl-3-methylpyrrolidine);1-ethylpiperidine;1-ethylpyrrolidine
CID 157530982
1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine
CID 158499748
4-Tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)
CID 158526159
2,2-Dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
CID 159395728
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 159653810
Tetrakis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 159892497
Methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 159917715
Pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 160357825
1-Tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 160650902
1-tert-butyl-N,N-dimethylpiperidin-4-amine;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine;N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 161294204
(2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine
CID 161315851

Frequently Asked Questions

What is the IUPAC name of tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The IUPAC name of tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (CID 158124161) is tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.
What is the InChIKey of tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The InChIKey is FRYMXPQNKHALRF-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H19N.2C8H17N.CH4/c3*1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-6-4-5-7-9;1-8(2)7-9-5-3-4-6-9;/h3*4-8H2,1-3H3;3*9H,3-8H2,1-2H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;1H4.
What are the key properties of tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine has a molecular weight of 1118.05 g/mol, XLogP of 17.45, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 158124161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).