2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine

C12H25N — CID 174103186

IUPAC2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine
SMILESC[C@@H](CCC(C)(C)C)C1CCCN1
InChIInChI=1S/C12H25N/c1-10(7-8-12(2,3)4)11-6-5-9-13-11/h10-11,13H,5-9H2,1-4H3/t10-,11?/m0/s1
InChIKeyCHMCPZGBEKCJTM-VUWPPUDQSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds3

About 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine

2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine (PubChem CID 174103186) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine
PubChem CID174103186
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine
SMILESC[C@@H](CCC(C)(C)C)C1CCCN1
InChIInChI=1S/C12H25N/c1-10(7-8-12(2,3)4)11-6-5-9-13-11/h10-11,13H,5-9H2,1-4H3/t10-,11?/m0/s1
InChIKeyCHMCPZGBEKCJTM-VUWPPUDQSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773
4-(2-pyrrolidin-2-ylpropyl)piperidine
CID 173240417
(2R)-2-butan-2-ylpiperidine
CID 145087457
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
2-(3,4,4-trimethylpentan-2-yl)pyrrolidine
CID 135277685
4-piperidin-2-ylpentanoic acid
CID 174627267
2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 164661994
(1R)-2,2-dimethyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 92979517
(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
2-pyrrolidin-2-ylpropylurea
CID 70245040

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine?
The IUPAC name of 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine (CID 174103186) is 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine.
What is the SMILES notation for 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine?
The canonical SMILES for 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine is C[C@@H](CCC(C)(C)C)C1CCCN1.
What is the InChIKey of 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine?
The InChIKey is CHMCPZGBEKCJTM-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H25N/c1-10(7-8-12(2,3)4)11-6-5-9-13-11/h10-11,13H,5-9H2,1-4H3/t10-,11?/m0/s1.
What are the key properties of 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine?
2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine is sourced from PubChem (CID 174103186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).