2-tert-butylpyrrolidine;2-methylpropane

C12H27N — CID 143359861

IUPAC2-tert-butylpyrrolidine;2-methylpropane
SMILESCC(C)(C)C1CCCN1.CC(C)C
InChIInChI=1S/C8H17N.C4H10/c1-8(2,3)7-5-4-6-9-7;1-4(2)3/h7,9H,4-6H2,1-3H3;4H,1-3H3
InChIKeyJDLRLCQUBJVSGA-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds

About 2-tert-butylpyrrolidine;2-methylpropane

2-tert-butylpyrrolidine;2-methylpropane (PubChem CID 143359861) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2-tert-butylpyrrolidine;2-methylpropane.

Molecular Properties

Compound Name2-tert-butylpyrrolidine;2-methylpropane
PubChem CID143359861
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2-tert-butylpyrrolidine;2-methylpropane
SMILESCC(C)(C)C1CCCN1.CC(C)C
InChIInChI=1S/C8H17N.C4H10/c1-8(2,3)7-5-4-6-9-7;1-4(2)3/h7,9H,4-6H2,1-3H3;4H,1-3H3
InChIKeyJDLRLCQUBJVSGA-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butylpyrrolidine;methane
CID 174978961
(2R)-3-methyl-2-[(2S)-pyrrolidin-2-yl]butan-2-ol
CID 138485633
2-tert-butylpiperidine;sulfuric acid
CID 175316087
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
2-(2-fluoro-3-methylpentan-2-yl)pyrrolidine
CID 131015142
1-chloro-1-pyrrolidin-2-ylethanol
CID 126542181
tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
CID 164979916
5-tert-butyl-1,4-diazepane
CID 167270425
(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine
CID 176610737
2-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855167
2-piperidin-2-ylpropan-2-amine
CID 55284786
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrrolidine;2-methylpropane?
The IUPAC name of 2-tert-butylpyrrolidine;2-methylpropane (CID 143359861) is 2-tert-butylpyrrolidine;2-methylpropane.
What is the SMILES notation for 2-tert-butylpyrrolidine;2-methylpropane?
The canonical SMILES for 2-tert-butylpyrrolidine;2-methylpropane is CC(C)(C)C1CCCN1.CC(C)C.
What is the InChIKey of 2-tert-butylpyrrolidine;2-methylpropane?
The InChIKey is JDLRLCQUBJVSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C4H10/c1-8(2,3)7-5-4-6-9-7;1-4(2)3/h7,9H,4-6H2,1-3H3;4H,1-3H3.
What are the key properties of 2-tert-butylpyrrolidine;2-methylpropane?
2-tert-butylpyrrolidine;2-methylpropane has a molecular weight of 185.35 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrrolidine;2-methylpropane is sourced from PubChem (CID 143359861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).