1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine

C20H45N3 — CID 143603137

IUPAC1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine
SMILESCC.CC1CCN(C)C1.CCC1CCNC1.C[C@H]1CCCN1C
InChIInChI=1S/3C6H13N.C2H6/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-2-6-3-4-7-5-6;1-2/h2*6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;1-2H3/t;6-;;/m.0../s1
InChIKeyDRAZNDGKBNJLEP-GXYYWVIJSA-N
MW327.60 g/mol
LogP4.09
Rot. Bonds1

About 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine

1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine (PubChem CID 143603137) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine.

Molecular Properties

Compound Name1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine
PubChem CID143603137
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC Name1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine
SMILESCC.CC1CCN(C)C1.CCC1CCNC1.C[C@H]1CCCN1C
InChIInChI=1S/3C6H13N.C2H6/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-2-6-3-4-7-5-6;1-2/h2*6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;1-2H3/t;6-;;/m.0../s1
InChIKeyDRAZNDGKBNJLEP-GXYYWVIJSA-N
XLogP4.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine?
The IUPAC name of 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine (CID 143603137) is 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine.
What is the SMILES notation for 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine?
The canonical SMILES for 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine is CC.CC1CCN(C)C1.CCC1CCNC1.C[C@H]1CCCN1C.
What is the InChIKey of 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine?
The InChIKey is DRAZNDGKBNJLEP-GXYYWVIJSA-N. The full InChI is InChI=1S/3C6H13N.C2H6/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-2-6-3-4-7-5-6;1-2/h2*6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;1-2H3/t;6-;;/m.0../s1.
What are the key properties of 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine?
1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine has a molecular weight of 327.60 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane;3-ethylpyrrolidine is sourced from PubChem (CID 143603137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).