1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol

C13H26N2O — CID 11075129

IUPAC1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
SMILESCN1CCC[C@H]1CC(O)C[C@@H]1CCCN1C
InChIInChI=1S/C13H26N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-13,16H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUOJNOOLFFFFKNA-RYUDHWBXSA-N
MW226.36 g/mol
LogP1.32
Rot. Bonds4

About 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol

1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol (PubChem CID 11075129) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
PubChem CID11075129
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
SMILESCN1CCC[C@H]1CC(O)C[C@@H]1CCCN1C
InChIInChI=1S/C13H26N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-13,16H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUOJNOOLFFFFKNA-RYUDHWBXSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol (CID 11075129) is 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol is CN1CCC[C@H]1CC(O)C[C@@H]1CCCN1C.
What is the InChIKey of 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is UOJNOOLFFFFKNA-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-13,16H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol?
1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 11075129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).