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

C6H12N2 — CID 55208448

IUPACN-ethyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCNC1=NCCC1
InChIInChI=1S/C6H12N2/c1-2-7-6-4-3-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyXHZVBQOIVAXSRT-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.79
Rot. Bonds1

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

N-ethyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 55208448) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-ethyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID55208448
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCNC1=NCCC1
InChIInChI=1S/C6H12N2/c1-2-7-6-4-3-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyXHZVBQOIVAXSRT-UHFFFAOYSA-N
XLogP0.79
TPSA24.39 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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-ethyl-3,4-dihydro-2H-pyrrol-5-amine (CID 55208448) is N-ethyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-ethyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-ethyl-3,4-dihydro-2H-pyrrol-5-amine is CCNC1=NCCC1.
What is the InChIKey of N-ethyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is XHZVBQOIVAXSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-7-6-4-3-5-8-6/h2-5H2,1H3,(H,7,8).
What are the key properties of N-ethyl-3,4-dihydro-2H-pyrrol-5-amine?
N-ethyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 112.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 55208448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).