N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine

C12H21NS — CID 102837782

IUPACN-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine
SMILESCCNC(CC)CCc1ccsc1C
InChIInChI=1S/C12H21NS/c1-4-12(13-5-2)7-6-11-8-9-14-10(11)3/h8-9,12-13H,4-7H2,1-3H3
InChIKeyINSWXRKSWSPPCX-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.38
Rot. Bonds6

About N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine

N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine (PubChem CID 102837782) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine
PubChem CID102837782
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine
SMILESCCNC(CC)CCc1ccsc1C
InChIInChI=1S/C12H21NS/c1-4-12(13-5-2)7-6-11-8-9-14-10(11)3/h8-9,12-13H,4-7H2,1-3H3
InChIKeyINSWXRKSWSPPCX-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine
CID 102837787
3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene
CID 102837921
2-(2-methylthiophen-3-yl)ethanol
CID 13144701
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
2-(2-methylthiophen-3-yl)ethanamine;hydrochloride
CID 19826894
N,5-diethyl-1-(2-methylphenyl)heptan-3-amine
CID 105176885
3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102837734
N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841988

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine?
The IUPAC name of N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine (CID 102837782) is N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine is CCNC(CC)CCc1ccsc1C.
What is the InChIKey of N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine?
The InChIKey is INSWXRKSWSPPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-4-12(13-5-2)7-6-11-8-9-14-10(11)3/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine?
N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine has a molecular weight of 211.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine is sourced from PubChem (CID 102837782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).