N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine

C12H21NS — CID 65102175

IUPACN-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine
SMILESCCNC(C)CC(C)c1csc(C)c1
InChIInChI=1S/C12H21NS/c1-5-13-10(3)6-9(2)12-7-11(4)14-8-12/h7-10,13H,5-6H2,1-4H3
InChIKeyGTVCJIPFZFXEGK-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.55
Rot. Bonds5

About N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine

N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine (PubChem CID 65102175) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine
PubChem CID65102175
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine
SMILESCCNC(C)CC(C)c1csc(C)c1
InChIInChI=1S/C12H21NS/c1-5-13-10(3)6-9(2)12-7-11(4)14-8-12/h7-10,13H,5-6H2,1-4H3
InChIKeyGTVCJIPFZFXEGK-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 65104847
N-ethyl-3-methoxy-1-(5-methylthiophen-3-yl)propan-1-amine
CID 65104795
N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104551
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
CID 64719429
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116724693
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 79974081
N-[(4-bromo-2,6-difluorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991452
N-ethyl-1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanamine
CID 65104859

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine (CID 65102175) is N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine is CCNC(C)CC(C)c1csc(C)c1.
What is the InChIKey of N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine?
The InChIKey is GTVCJIPFZFXEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-5-13-10(3)6-9(2)12-7-11(4)14-8-12/h7-10,13H,5-6H2,1-4H3.
What are the key properties of N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine?
N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine is sourced from PubChem (CID 65102175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).