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

C12H23ClN2S — CID 18940457

IUPACpropane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride
SMILESCCC.Cl.Nc1ccc(CN2CCCC2)s1
InChIInChI=1S/C9H14N2S.C3H8.ClH/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;1H
InChIKeyHROABZILCOBEJY-UHFFFAOYSA-N
MW262.85 g/mol
LogP3.76
Rot. Bonds2

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

propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride (PubChem CID 18940457) has the molecular formula C12H23ClN2S and a molecular weight of 262.85 g/mol. Its IUPAC name is propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride.

Molecular Properties

Compound Namepropane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride
PubChem CID18940457
Molecular FormulaC12H23ClN2S
Molecular Weight262.85 g/mol
Exact Mass262.13
IUPAC Namepropane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride
SMILESCCC.Cl.Nc1ccc(CN2CCCC2)s1
InChIInChI=1S/C9H14N2S.C3H8.ClH/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;1H
InChIKeyHROABZILCOBEJY-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-2-[[5-(dimethylamino)thiophen-1-ium-2-id-2-yl]methylidene]-N,N-dimethyl-3H-thiophen-3-id-5-amine
CID 177865497
5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine
CID 134884378
5-Methylthiophen-2-amine hydrochloride
CID 12330505
1-(5-Methylthiophen-2-yl)pyrrolidine
CID 18338310
5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine
CID 18338376
Propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride
CID 18940509
[5-(Pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
CID 20098892
N,N-dibutyl-5-methylthiophen-2-amine
CID 23558537
N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654104
N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine
CID 58514640
N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride
CID 67665963
1-[5-(Pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-2-amine;hydrochloride
CID 67666872

Frequently Asked Questions

What is the IUPAC name of propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride?
The IUPAC name of propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride (CID 18940457) is propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride.
What is the SMILES notation for propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride?
The canonical SMILES for propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride is CCC.Cl.Nc1ccc(CN2CCCC2)s1.
What is the InChIKey of propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride?
The InChIKey is HROABZILCOBEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.C3H8.ClH/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;1H.
What are the key properties of propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride?
propane;5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;hydrochloride has a molecular weight of 262.85 g/mol, XLogP of 3.76, 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;hydrochloride is sourced from PubChem (CID 18940457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).