4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

C15H24N4 — CID 30955996

IUPAC4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCCN1CCC[C@H]1CNCc1cc(C#N)n(C)c1C
InChIInChI=1S/C15H24N4/c1-4-19-7-5-6-14(19)11-17-10-13-8-15(9-16)18(3)12(13)2/h8,14,17H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyVLVOPXKEJDMYJW-AWEZNQCLSA-N
MW260.38 g/mol
LogP1.78
Rot. Bonds5

About 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 30955996) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID30955996
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCCN1CCC[C@H]1CNCc1cc(C#N)n(C)c1C
InChIInChI=1S/C15H24N4/c1-4-19-7-5-6-14(19)11-17-10-13-8-15(9-16)18(3)12(13)2/h8,14,17H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyVLVOPXKEJDMYJW-AWEZNQCLSA-N
XLogP1.78
TPSA43.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 30955996) is 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile is CCN1CCC[C@H]1CNCc1cc(C#N)n(C)c1C.
What is the InChIKey of 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is VLVOPXKEJDMYJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-19-7-5-6-14(19)11-17-10-13-8-15(9-16)18(3)12(13)2/h8,14,17H,4-7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 30955996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).