1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride

C12H21ClN2S — CID 67666872

IUPAC1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1ccc(CN2CCCC2)s1.Cl
InChIInChI=1S/C12H20N2S.ClH/c1-10(13)8-11-4-5-12(15-11)9-14-6-2-3-7-14;/h4-5,10H,2-3,6-9,13H2,1H3;1H
InChIKeyFYFOXHKIEBSCEL-UHFFFAOYSA-N
MW260.83 g/mol
LogP2.66
Rot. Bonds4

About 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride

1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride (PubChem CID 67666872) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride
PubChem CID67666872
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC Name1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1ccc(CN2CCCC2)s1.Cl
InChIInChI=1S/C12H20N2S.ClH/c1-10(13)8-11-4-5-12(15-11)9-14-6-2-3-7-14;/h4-5,10H,2-3,6-9,13H2,1H3;1H
InChIKeyFYFOXHKIEBSCEL-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride (CID 67666872) is 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride is CC(N)Cc1ccc(CN2CCCC2)s1.Cl.
What is the InChIKey of 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride?
The InChIKey is FYFOXHKIEBSCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S.ClH/c1-10(13)8-11-4-5-12(15-11)9-14-6-2-3-7-14;/h4-5,10H,2-3,6-9,13H2,1H3;1H.
What are the key properties of 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride?
1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride has a molecular weight of 260.83 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 67666872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).