methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride

C7H15ClN2 — CID 162046716

IUPACmethane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride
SMILESC.Cl.NCCC1=CCC=N1
InChIInChI=1S/C6H10N2.CH4.ClH/c7-4-3-6-2-1-5-8-6;;/h2,5H,1,3-4,7H2;1H4;1H
InChIKeyPNDXRYASBVQKAN-UHFFFAOYSA-N
MW162.66 g/mol
LogP1.75
Rot. Bonds2

About methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride

methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride (PubChem CID 162046716) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Namemethane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride
PubChem CID162046716
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Namemethane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride
SMILESC.Cl.NCCC1=CCC=N1
InChIInChI=1S/C6H10N2.CH4.ClH/c7-4-3-6-2-1-5-8-6;;/h2,5H,1,3-4,7H2;1H4;1H
InChIKeyPNDXRYASBVQKAN-UHFFFAOYSA-N
XLogP1.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride?
The IUPAC name of methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride (CID 162046716) is methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride is C.Cl.NCCC1=CCC=N1.
What is the InChIKey of methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride?
The InChIKey is PNDXRYASBVQKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.CH4.ClH/c7-4-3-6-2-1-5-8-6;;/h2,5H,1,3-4,7H2;1H4;1H.
What are the key properties of methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride?
methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(3H-pyrrol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 162046716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).