1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine

C12H23N3 — CID 79097031

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccn(CCN(C)C)c1
InChIInChI=1S/C12H23N3/c1-10(2)12(13)11-5-6-15(9-11)8-7-14(3)4/h5-6,9-10,12H,7-8,13H2,1-4H3
InChIKeyCNRHMQZTCRZGDV-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.71
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine

1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine (PubChem CID 79097031) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
PubChem CID79097031
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccn(CCN(C)C)c1
InChIInChI=1S/C12H23N3/c1-10(2)12(13)11-5-6-15(9-11)8-7-14(3)4/h5-6,9-10,12H,7-8,13H2,1-4H3
InChIKeyCNRHMQZTCRZGDV-UHFFFAOYSA-N
XLogP1.71
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine (CID 79097031) is 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine is CC(C)C(N)c1ccn(CCN(C)C)c1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The InChIKey is CNRHMQZTCRZGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)12(13)11-5-6-15(9-11)8-7-14(3)4/h5-6,9-10,12H,7-8,13H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine?
1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79097031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).