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

C14H24N4 — CID 43159151

IUPAC2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile
SMILESCCN(CC)CCCn1c(C)c(C)c(C#N)c1N
InChIInChI=1S/C14H24N4/c1-5-17(6-2)8-7-9-18-12(4)11(3)13(10-15)14(18)16/h5-9,16H2,1-4H3
InChIKeyGJBBKXSTWNYSQN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.29
Rot. Bonds6

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

2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile (PubChem CID 43159151) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile
PubChem CID43159151
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile
SMILESCCN(CC)CCCn1c(C)c(C)c(C#N)c1N
InChIInChI=1S/C14H24N4/c1-5-17(6-2)8-7-9-18-12(4)11(3)13(10-15)14(18)16/h5-9,16H2,1-4H3
InChIKeyGJBBKXSTWNYSQN-UHFFFAOYSA-N
XLogP2.29
TPSA57.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.29
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-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile (CID 43159151) is 2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile is CCN(CC)CCCn1c(C)c(C)c(C#N)c1N.
What is the InChIKey of 2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile?
The InChIKey is GJBBKXSTWNYSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-17(6-2)8-7-9-18-12(4)11(3)13(10-15)14(18)16/h5-9,16H2,1-4H3.
What are the key properties of 2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile?
2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile has a molecular weight of 248.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile is sourced from PubChem (CID 43159151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).