2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile

C12H20N4 — CID 4962082

IUPAC2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(CCCN(C)C)c1C
InChIInChI=1S/C12H20N4/c1-9-10(2)16(7-5-6-15(3)4)12(14)11(9)8-13/h5-7,14H2,1-4H3
InChIKeyJLINRXHDECVPQI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.51
Rot. Bonds4

About 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile

2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile (PubChem CID 4962082) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile
PubChem CID4962082
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(CCCN(C)C)c1C
InChIInChI=1S/C12H20N4/c1-9-10(2)16(7-5-6-15(3)4)12(14)11(9)8-13/h5-7,14H2,1-4H3
InChIKeyJLINRXHDECVPQI-UHFFFAOYSA-N
XLogP1.51
TPSA57.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile (CID 4962082) is 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile is Cc1c(C#N)c(N)n(CCCN(C)C)c1C.
What is the InChIKey of 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile?
The InChIKey is JLINRXHDECVPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-10(2)16(7-5-6-15(3)4)12(14)11(9)8-13/h5-7,14H2,1-4H3.
What are the key properties of 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile?
2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile has a molecular weight of 220.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(dimethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile is sourced from PubChem (CID 4962082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).