(2S)-2-[(2S)-butan-2-yl]pyrrolidine

C8H17N — CID 7047855

IUPAC(2S)-2-[(2S)-butan-2-yl]pyrrolidine
SMILESCC[C@H](C)[C@@H]1CCCN1
InChIInChI=1S/C8H17N/c1-3-7(2)8-5-4-6-9-8/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyKCHJATHVAOQQQV-YUMQZZPRSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds2

About (2S)-2-[(2S)-butan-2-yl]pyrrolidine

(2S)-2-[(2S)-butan-2-yl]pyrrolidine (PubChem CID 7047855) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2S)-2-[(2S)-butan-2-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(2S)-butan-2-yl]pyrrolidine
PubChem CID7047855
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2S)-2-[(2S)-butan-2-yl]pyrrolidine
SMILESCC[C@H](C)[C@@H]1CCCN1
InChIInChI=1S/C8H17N/c1-3-7(2)8-5-4-6-9-8/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyKCHJATHVAOQQQV-YUMQZZPRSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773
(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
2-[1-(2,2-difluoro-1-methylcyclopropyl)propan-2-yl]pyrrolidine
CID 164649017

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-butan-2-yl]pyrrolidine?
The IUPAC name of (2S)-2-[(2S)-butan-2-yl]pyrrolidine (CID 7047855) is (2S)-2-[(2S)-butan-2-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(2S)-butan-2-yl]pyrrolidine?
The canonical SMILES for (2S)-2-[(2S)-butan-2-yl]pyrrolidine is CC[C@H](C)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[(2S)-butan-2-yl]pyrrolidine?
The InChIKey is KCHJATHVAOQQQV-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17N/c1-3-7(2)8-5-4-6-9-8/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(2S)-butan-2-yl]pyrrolidine?
(2S)-2-[(2S)-butan-2-yl]pyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-butan-2-yl]pyrrolidine is sourced from PubChem (CID 7047855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).