propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride

C12H24Cl2N2S — CID 18940509

IUPACpropane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride
SMILESCCC.Cl.Cl.Nc1ccc(CN2CCCC2)s1
InChIInChI=1S/C9H14N2S.C3H8.2ClH/c10-9-4-3-8(12-9)7-11-5-1-2-6-11;1-3-2;;/h3-4H,1-2,5-7,10H2;3H2,1-2H3;2*1H
InChIKeyKYRHSJFOFZKAHK-UHFFFAOYSA-N
MW299.31 g/mol
LogP4.19
Rot. Bonds2

About propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride

propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride (PubChem CID 18940509) has the molecular formula C12H24Cl2N2S and a molecular weight of 299.31 g/mol. Its IUPAC name is propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride.

Molecular Properties

Compound Namepropane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride
PubChem CID18940509
Molecular FormulaC12H24Cl2N2S
Molecular Weight299.31 g/mol
Exact Mass298.10
IUPAC Namepropane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride
SMILESCCC.Cl.Cl.Nc1ccc(CN2CCCC2)s1
InChIInChI=1S/C9H14N2S.C3H8.2ClH/c10-9-4-3-8(12-9)7-11-5-1-2-6-11;1-3-2;;/h3-4H,1-2,5-7,10H2;3H2,1-2H3;2*1H
InChIKeyKYRHSJFOFZKAHK-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride?
The IUPAC name of propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride (CID 18940509) is propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride.
What is the SMILES notation for propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride?
The canonical SMILES for propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride is CCC.Cl.Cl.Nc1ccc(CN2CCCC2)s1.
What is the InChIKey of propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride?
The InChIKey is KYRHSJFOFZKAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.C3H8.2ClH/c10-9-4-3-8(12-9)7-11-5-1-2-6-11;1-3-2;;/h3-4H,1-2,5-7,10H2;3H2,1-2H3;2*1H.
What are the key properties of propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride?
propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride has a molecular weight of 299.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride is sourced from PubChem (CID 18940509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).