N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

C12H20N2S — CID 28654104

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(CNCCN2CCCC2)s1
InChIInChI=1S/C12H20N2S/c1-11-4-5-12(15-11)10-13-6-9-14-7-2-3-8-14/h4-5,13H,2-3,6-10H2,1H3
InChIKeyWWFBRHLZXPFWOK-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.24
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 28654104) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID28654104
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(CNCCN2CCCC2)s1
InChIInChI=1S/C12H20N2S/c1-11-4-5-12(15-11)10-13-6-9-14-7-2-3-8-14/h4-5,13H,2-3,6-10H2,1H3
InChIKeyWWFBRHLZXPFWOK-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
Bis((thiophen-2-yl)methyl)amine
CID 252453
1-(Thien-2-ylmethyl)piperazine
CID 566208
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Thiophen-2-yl)pyrrolidine
CID 339554
1-Thiophen-2-ylmethyl-piperazine dihydrochloride
CID 45074832
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
2-[(2-{[(5-Methyl-2-thienyl)methyl]amino}ethyl)amino]ethanol dihydrochloride
CID 16189723
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
Methyl[1-(thiophen-2-yl)ethyl]amine
CID 458576

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 28654104) is N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is Cc1ccc(CNCCN2CCCC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is WWFBRHLZXPFWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-11-4-5-12(15-11)10-13-6-9-14-7-2-3-8-14/h4-5,13H,2-3,6-10H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 28654104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).