tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane

C36H78N4 — CID 159001903

IUPACtris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/3C9H19N.C8H17N.CH4/c3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;/h3*4-8H2,1-3H3;4-7H2,1-3H3;1H4
InChIKeyJRLCBHKGWGSXQD-UHFFFAOYSA-N
MW567.05 g/mol
LogP9.33
Rot. Bonds

About tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane

tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane (PubChem CID 159001903) has the molecular formula C36H78N4 and a molecular weight of 567.05 g/mol. Its IUPAC name is tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane.

Molecular Properties

Compound Nametris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
PubChem CID159001903
Molecular FormulaC36H78N4
Molecular Weight567.05 g/mol
Exact Mass566.62
IUPAC Nametris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/3C9H19N.C8H17N.CH4/c3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;/h3*4-8H2,1-3H3;4-7H2,1-3H3;1H4
InChIKeyJRLCBHKGWGSXQD-UHFFFAOYSA-N
XLogP9.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.05
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Tert-butyl-2,2-difluoropiperidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine
CID 159002450
1-Tert-butyl-4-[[1-[5-[4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 138656878
1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N,N,1-trimethylpiperidin-4-amine
CID 144804917
Methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 157119616
1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)
CID 157235049
1-Tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)
CID 157350283
Bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine
CID 157439064
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157461988
1-Tert-butylpiperidine;bis(1-propan-2-ylpiperidine)
CID 157503983
Tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157621754
butan-1-amine;butane;N,N-dimethylbutan-1-amine;N,N-dimethylpropan-1-amine;1-pentylpiperidine;bis(1-propylpiperidine);1-propylpyrrolidine
CID 157720868

Frequently Asked Questions

What is the IUPAC name of tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
The IUPAC name of tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane (CID 159001903) is tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane.
What is the SMILES notation for tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
The canonical SMILES for tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane is C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.
What is the InChIKey of tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
The InChIKey is JRLCBHKGWGSXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.C8H17N.CH4/c3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;/h3*4-8H2,1-3H3;4-7H2,1-3H3;1H4.
What are the key properties of tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane has a molecular weight of 567.05 g/mol, XLogP of 9.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane is sourced from PubChem (CID 159001903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).