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

C6H13ClN2 — CID 19049128

IUPAC3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCC1CN=C(N)C1.Cl
InChIInChI=1S/C6H12N2.ClH/c1-2-5-3-6(7)8-4-5;/h5H,2-4H2,1H3,(H2,7,8);1H
InChIKeyFPPOUWBAWOILPS-UHFFFAOYSA-N
MW148.64 g/mol
LogP1.20
Rot. Bonds1

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

3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 19049128) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID19049128
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCC1CN=C(N)C1.Cl
InChIInChI=1S/C6H12N2.ClH/c1-2-5-3-6(7)8-4-5;/h5H,2-4H2,1H3,(H2,7,8);1H
InChIKeyFPPOUWBAWOILPS-UHFFFAOYSA-N
XLogP1.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 19049128) is 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CCC1CN=C(N)C1.Cl.
What is the InChIKey of 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is FPPOUWBAWOILPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c1-2-5-3-6(7)8-4-5;/h5H,2-4H2,1H3,(H2,7,8);1H.
What are the key properties of 3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
3-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 1.20, 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;hydrochloride is sourced from PubChem (CID 19049128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).