azetidine;1-tert-butylpyrrolidine;2-methylpropane

C15H34N2 — CID 177188301

IUPACazetidine;1-tert-butylpyrrolidine;2-methylpropane
SMILESC1CNC1.CC(C)(C)N1CCCC1.CC(C)C
InChIInChI=1S/C8H17N.C4H10.C3H7N/c1-8(2,3)9-6-4-5-7-9;1-4(2)3;1-2-4-3-1/h4-7H2,1-3H3;4H,1-3H3;4H,1-3H2
InChIKeyYPHSRGVSYVKKAG-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds

About azetidine;1-tert-butylpyrrolidine;2-methylpropane

azetidine;1-tert-butylpyrrolidine;2-methylpropane (PubChem CID 177188301) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is azetidine;1-tert-butylpyrrolidine;2-methylpropane.

Molecular Properties

Compound Nameazetidine;1-tert-butylpyrrolidine;2-methylpropane
PubChem CID177188301
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Nameazetidine;1-tert-butylpyrrolidine;2-methylpropane
SMILESC1CNC1.CC(C)(C)N1CCCC1.CC(C)C
InChIInChI=1S/C8H17N.C4H10.C3H7N/c1-8(2,3)9-6-4-5-7-9;1-4(2)3;1-2-4-3-1/h4-7H2,1-3H3;4H,1-3H3;4H,1-3H2
InChIKeyYPHSRGVSYVKKAG-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-tert-butylazepane;1-tert-butylpiperidine
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1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
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1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine
CID 159843744
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane
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1-tert-butylpiperazine;ethane;methane
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1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
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CID 157050293

Frequently Asked Questions

What is the IUPAC name of azetidine;1-tert-butylpyrrolidine;2-methylpropane?
The IUPAC name of azetidine;1-tert-butylpyrrolidine;2-methylpropane (CID 177188301) is azetidine;1-tert-butylpyrrolidine;2-methylpropane.
What is the SMILES notation for azetidine;1-tert-butylpyrrolidine;2-methylpropane?
The canonical SMILES for azetidine;1-tert-butylpyrrolidine;2-methylpropane is C1CNC1.CC(C)(C)N1CCCC1.CC(C)C.
What is the InChIKey of azetidine;1-tert-butylpyrrolidine;2-methylpropane?
The InChIKey is YPHSRGVSYVKKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C4H10.C3H7N/c1-8(2,3)9-6-4-5-7-9;1-4(2)3;1-2-4-3-1/h4-7H2,1-3H3;4H,1-3H3;4H,1-3H2.
What are the key properties of azetidine;1-tert-butylpyrrolidine;2-methylpropane?
azetidine;1-tert-butylpyrrolidine;2-methylpropane has a molecular weight of 242.45 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;1-tert-butylpyrrolidine;2-methylpropane is sourced from PubChem (CID 177188301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).