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

C6H13ClN2 — CID 67553216

IUPACN-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCNC1=NCCC1.Cl
InChIInChI=1S/C6H12N2.ClH/c1-2-7-6-4-3-5-8-6;/h2-5H2,1H3,(H,7,8);1H
InChIKeyBSHMXTMIMATCJQ-UHFFFAOYSA-N
MW148.64 g/mol
LogP1.21
Rot. Bonds1

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

N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 67553216) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID67553216
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC NameN-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCNC1=NCCC1.Cl
InChIInChI=1S/C6H12N2.ClH/c1-2-7-6-4-3-5-8-6;/h2-5H2,1H3,(H,7,8);1H
InChIKeyBSHMXTMIMATCJQ-UHFFFAOYSA-N
XLogP1.21
TPSA24.39 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 ≤ 51.21
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;hydrochloride?
The IUPAC name of N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 67553216) is N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CCNC1=NCCC1.Cl.
What is the InChIKey of N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is BSHMXTMIMATCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c1-2-7-6-4-3-5-8-6;/h2-5H2,1H3,(H,7,8);1H.
What are the key properties of N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
N-ethyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 1.21, 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;hydrochloride is sourced from PubChem (CID 67553216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).