N-(thiophen-3-ylmethyl)butan-2-amine

C9H15NS — CID 4723850

IUPACN-(thiophen-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1ccsc1
InChIInChI=1S/C9H15NS/c1-3-8(2)10-6-9-4-5-11-7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyPGSGIQWHDMIDHW-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.64
Rot. Bonds4

About N-(thiophen-3-ylmethyl)butan-2-amine

N-(thiophen-3-ylmethyl)butan-2-amine (PubChem CID 4723850) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)butan-2-amine
PubChem CID4723850
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-(thiophen-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1ccsc1
InChIInChI=1S/C9H15NS/c1-3-8(2)10-6-9-4-5-11-7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyPGSGIQWHDMIDHW-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)butan-2-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)butan-2-amine (CID 4723850) is N-(thiophen-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)butan-2-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)butan-2-amine is CCC(C)NCc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)butan-2-amine?
The InChIKey is PGSGIQWHDMIDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-8(2)10-6-9-4-5-11-7-9/h4-5,7-8,10H,3,6H2,1-2H3.
What are the key properties of N-(thiophen-3-ylmethyl)butan-2-amine?
N-(thiophen-3-ylmethyl)butan-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 4723850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).