N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine

C12H20N2S — CID 107555693

IUPACN-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CN)s1
InChIInChI=1S/C12H20N2S/c1-4-14(8-10(2)3)9-12-6-5-11(7-13)15-12/h5-6H,2,4,7-9,13H2,1,3H3
InChIKeyARJSYBKJZDYUGE-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.60
Rot. Bonds6

About N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine

N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 107555693) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID107555693
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CN)s1
InChIInChI=1S/C12H20N2S/c1-4-14(8-10(2)3)9-12-6-5-11(7-13)15-12/h5-6H,2,4,7-9,13H2,1,3H3
InChIKeyARJSYBKJZDYUGE-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 107555693) is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1ccc(CN)s1.
What is the InChIKey of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is ARJSYBKJZDYUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-14(8-10(2)3)9-12-6-5-11(7-13)15-12/h5-6H,2,4,7-9,13H2,1,3H3.
What are the key properties of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 107555693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).