2-butan-2-ylpyrrolidine;molecular hydrogen

C8H19N — CID 145307773

IUPAC2-butan-2-ylpyrrolidine;molecular hydrogen
SMILESCCC(C)C1CCCN1.[H][H]
InChIInChI=1S/C8H17N.H2/c1-3-7(2)8-5-4-6-9-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyKIHIBBPHOIBFMY-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds2

About 2-butan-2-ylpyrrolidine;molecular hydrogen

2-butan-2-ylpyrrolidine;molecular hydrogen (PubChem CID 145307773) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 2-butan-2-ylpyrrolidine;molecular hydrogen.

Molecular Properties

Compound Name2-butan-2-ylpyrrolidine;molecular hydrogen
PubChem CID145307773
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name2-butan-2-ylpyrrolidine;molecular hydrogen
SMILESCCC(C)C1CCCN1.[H][H]
InChIInChI=1S/C8H17N.H2/c1-3-7(2)8-5-4-6-9-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyKIHIBBPHOIBFMY-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
(2R)-2-butan-2-ylpiperidine
CID 145087457
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
4-(2-pyrrolidin-2-ylpropyl)piperidine
CID 173240417
2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine
CID 174103186
2-pentan-3-ylpiperidine
CID 4527381
(2S)-2-pentan-3-ylpiperidine
CID 7048107
(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine
CID 125425171
2-butan-2-yl-4-ethylpiperidine
CID 79444187
(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine
CID 124705776
4-piperidin-2-ylpentanoic acid
CID 174627267

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylpyrrolidine;molecular hydrogen?
The IUPAC name of 2-butan-2-ylpyrrolidine;molecular hydrogen (CID 145307773) is 2-butan-2-ylpyrrolidine;molecular hydrogen.
What is the SMILES notation for 2-butan-2-ylpyrrolidine;molecular hydrogen?
The canonical SMILES for 2-butan-2-ylpyrrolidine;molecular hydrogen is CCC(C)C1CCCN1.[H][H].
What is the InChIKey of 2-butan-2-ylpyrrolidine;molecular hydrogen?
The InChIKey is KIHIBBPHOIBFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.H2/c1-3-7(2)8-5-4-6-9-8;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of 2-butan-2-ylpyrrolidine;molecular hydrogen?
2-butan-2-ylpyrrolidine;molecular hydrogen has a molecular weight of 129.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylpyrrolidine;molecular hydrogen is sourced from PubChem (CID 145307773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).