N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine

C13H23NS — CID 102841988

IUPACN,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
SMILESCCNC(c1ccsc1C)C(CC)CC
InChIInChI=1S/C13H23NS/c1-5-11(6-2)13(14-7-3)12-8-9-15-10(12)4/h8-9,11,13-14H,5-7H2,1-4H3
InChIKeySLUNBULEGBNIAA-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.14
Rot. Bonds6

About N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine

N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine (PubChem CID 102841988) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
PubChem CID102841988
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
SMILESCCNC(c1ccsc1C)C(CC)CC
InChIInChI=1S/C13H23NS/c1-5-11(6-2)13(14-7-3)12-8-9-15-10(12)4/h8-9,11,13-14H,5-7H2,1-4H3
InChIKeySLUNBULEGBNIAA-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
CID 102841986
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102833842
N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790174
N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine
CID 102833204
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 103517279
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
[2-methoxy-1-(2-methylthiophen-3-yl)butyl]hydrazine
CID 102843058
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The IUPAC name of N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine (CID 102841988) is N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine is CCNC(c1ccsc1C)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The InChIKey is SLUNBULEGBNIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-11(6-2)13(14-7-3)12-8-9-15-10(12)4/h8-9,11,13-14H,5-7H2,1-4H3.
What are the key properties of N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine?
N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine is sourced from PubChem (CID 102841988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).