1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride

C8H15ClN2 — CID 75525886

IUPAC1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride
SMILESCCn1ccc(CNC)c1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-3-10-5-4-8(7-10)6-9-2;/h4-5,7,9H,3,6H2,1-2H3;1H
InChIKeyWWJWESQUOLQBTE-UHFFFAOYSA-N
MW174.68 g/mol
LogP1.65
Rot. Bonds3

About 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride

1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride (PubChem CID 75525886) has the molecular formula C8H15ClN2 and a molecular weight of 174.68 g/mol. Its IUPAC name is 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride
PubChem CID75525886
Molecular FormulaC8H15ClN2
Molecular Weight174.68 g/mol
Exact Mass174.09
IUPAC Name1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride
SMILESCCn1ccc(CNC)c1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-3-10-5-4-8(7-10)6-9-2;/h4-5,7,9H,3,6H2,1-2H3;1H
InChIKeyWWJWESQUOLQBTE-UHFFFAOYSA-N
XLogP1.65
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.68
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride (CID 75525886) is 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride is CCn1ccc(CNC)c1.Cl.
What is the InChIKey of 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is WWJWESQUOLQBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-3-10-5-4-8(7-10)6-9-2;/h4-5,7,9H,3,6H2,1-2H3;1H.
What are the key properties of 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride?
1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 174.68 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrol-3-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 75525886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).