3-ethyl-3,4-dihydro-2H-pyrrol-5-amine

C6H12N2 — CID 10725313

IUPAC3-ethyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC1CN=C(N)C1
InChIInChI=1S/C6H12N2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKeyYDJLYZDTIUKJQI-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.77
Rot. Bonds1

About 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine

3-ethyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 10725313) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-ethyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID10725313
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-ethyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC1CN=C(N)C1
InChIInChI=1S/C6H12N2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKeyYDJLYZDTIUKJQI-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine (CID 10725313) is 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine is CCC1CN=C(N)C1.
What is the InChIKey of 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is YDJLYZDTIUKJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3,(H2,7,8).
What are the key properties of 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine?
3-ethyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 112.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 10725313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).