2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine

C12H21NS — CID 62505549

IUPAC2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
SMILESCCCC(CN)Cc1ccc(CC)s1
InChIInChI=1S/C12H21NS/c1-3-5-10(9-13)8-12-7-6-11(4-2)14-12/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyQXGKHPIKIGMRQX-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.23
Rot. Bonds6

About 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine

2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine (PubChem CID 62505549) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
PubChem CID62505549
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
SMILESCCCC(CN)Cc1ccc(CC)s1
InChIInChI=1S/C12H21NS/c1-3-5-10(9-13)8-12-7-6-11(4-2)14-12/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyQXGKHPIKIGMRQX-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine (CID 62505549) is 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine is CCCC(CN)Cc1ccc(CC)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine?
The InChIKey is QXGKHPIKIGMRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-5-10(9-13)8-12-7-6-11(4-2)14-12/h6-7,10H,3-5,8-9,13H2,1-2H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine?
2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 62505549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).