N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine

C11H19NS — CID 114748814

IUPACN-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine
SMILESCCNCc1cscc1CC(C)C
InChIInChI=1S/C11H19NS/c1-4-12-6-11-8-13-7-10(11)5-9(2)3/h7-9,12H,4-6H2,1-3H3
InChIKeyAFZZALOXGQVPAB-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.06
Rot. Bonds5

About N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine

N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine (PubChem CID 114748814) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine
PubChem CID114748814
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine
SMILESCCNCc1cscc1CC(C)C
InChIInChI=1S/C11H19NS/c1-4-12-6-11-8-13-7-10(11)5-9(2)3/h7-9,12H,4-6H2,1-3H3
InChIKeyAFZZALOXGQVPAB-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine (CID 114748814) is N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine is CCNCc1cscc1CC(C)C.
What is the InChIKey of N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine?
The InChIKey is AFZZALOXGQVPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-12-6-11-8-13-7-10(11)5-9(2)3/h7-9,12H,4-6H2,1-3H3.
What are the key properties of N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine?
N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine has a molecular weight of 197.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine is sourced from PubChem (CID 114748814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).