5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine

C12H17N3 — CID 102540088

IUPAC5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(C2=NCCC2)cn1
InChIInChI=1S/C12H17N3/c1-2-7-14-12-6-5-10(9-15-12)11-4-3-8-13-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyTVEJSVYURJOVEK-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.49
Rot. Bonds4

About 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine

5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine (PubChem CID 102540088) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine
PubChem CID102540088
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(C2=NCCC2)cn1
InChIInChI=1S/C12H17N3/c1-2-7-14-12-6-5-10(9-15-12)11-4-3-8-13-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyTVEJSVYURJOVEK-UHFFFAOYSA-N
XLogP2.49
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine?
The IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine (CID 102540088) is 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine is CCCNc1ccc(C2=NCCC2)cn1.
What is the InChIKey of 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine?
The InChIKey is TVEJSVYURJOVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-7-14-12-6-5-10(9-15-12)11-4-3-8-13-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine?
5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine is sourced from PubChem (CID 102540088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).