bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane

C94H208N8 — CID 167612947

IUPACbis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CCC.CCC.CCC.CCC.CCC.CCC.CN1CC(C(C)(C)C)C1.CN1CC(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/2C13H27N.2C9H19N.4C8H17N.6C3H8/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;2*1-8-5-6-10(7-8)9(2,3)4;2*1-8(2,3)7-5-9(4)6-7;2*1-7-5-9(6-7)8(2,3)4;6*1-3-2/h2*11H,7-10H2,1-6H3;2*8H,5-7H2,1-4H3;4*7H,5-6H2,1-4H3;6*3H2,1-2H3/t;;2*8-;;;;;;;;;;/m..10........../s1
InChIKeyLIERLGNKMCNURG-WPTKZGEGSA-N
MW1450.75 g/mol
LogP26.50
Rot. Bonds

About bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane

bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane (PubChem CID 167612947) has the molecular formula C94H208N8 and a molecular weight of 1450.75 g/mol. Its IUPAC name is bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane.

Molecular Properties

Compound Namebis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
PubChem CID167612947
Molecular FormulaC94H208N8
Molecular Weight1450.75 g/mol
Exact Mass1449.65
IUPAC Namebis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CCC.CCC.CCC.CCC.CCC.CCC.CN1CC(C(C)(C)C)C1.CN1CC(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/2C13H27N.2C9H19N.4C8H17N.6C3H8/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;2*1-8-5-6-10(7-8)9(2,3)4;2*1-8(2,3)7-5-9(4)6-7;2*1-7-5-9(6-7)8(2,3)4;6*1-3-2/h2*11H,7-10H2,1-6H3;2*8H,5-7H2,1-4H3;4*7H,5-6H2,1-4H3;6*3H2,1-2H3/t;;2*8-;;;;;;;;;;/m..10........../s1
InChIKeyLIERLGNKMCNURG-WPTKZGEGSA-N
XLogP26.50
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001450.75
LogP ≤ 526.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane 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

bis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;1,4-ditert-butylpiperidine;ethane
CID 167673709
(3R)-1-tert-butyl-3-methylcyclopentane;1,3-ditert-butylazetidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;ethane
CID 165073914
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine
CID 159904713
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
(3R)-3-tert-butyl-1-methylpyrrolidine
CID 58837566
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine
CID 176629984
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
1-tert-butyl-4-methylpiperazine;propane
CID 159466011

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane?
The IUPAC name of bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane (CID 167612947) is bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane.
What is the SMILES notation for bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane?
The canonical SMILES for bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CCC.CCC.CCC.CCC.CCC.CCC.CN1CC(C(C)(C)C)C1.CN1CC(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane?
The InChIKey is LIERLGNKMCNURG-WPTKZGEGSA-N. The full InChI is InChI=1S/2C13H27N.2C9H19N.4C8H17N.6C3H8/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;2*1-8-5-6-10(7-8)9(2,3)4;2*1-8(2,3)7-5-9(4)6-7;2*1-7-5-9(6-7)8(2,3)4;6*1-3-2/h2*11H,7-10H2,1-6H3;2*8H,5-7H2,1-4H3;4*7H,5-6H2,1-4H3;6*3H2,1-2H3/t;;2*8-;;;;;;;;;;/m..10........../s1.
What are the key properties of bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane?
bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane has a molecular weight of 1450.75 g/mol, XLogP of 26.50, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane is sourced from PubChem (CID 167612947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).