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

C14H25NS — CID 102841986

IUPAC2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccsc1C)C(CC)CC
InChIInChI=1S/C14H25NS/c1-5-9-15-14(12(6-2)7-3)13-8-10-16-11(13)4/h8,10,12,14-15H,5-7,9H2,1-4H3
InChIKeyDCZCBJOVLFWGJZ-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.53
Rot. Bonds7

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

2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine (PubChem CID 102841986) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
PubChem CID102841986
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccsc1C)C(CC)CC
InChIInChI=1S/C14H25NS/c1-5-9-15-14(12(6-2)7-3)13-8-10-16-11(13)4/h8,10,12,14-15H,5-7,9H2,1-4H3
InChIKeyDCZCBJOVLFWGJZ-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841988
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 103517279
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102832497
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921
3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102840731
2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102833842
N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841296
N-[(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834065
1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
CID 106692647

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine (CID 102841986) is 2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine is CCCNC(c1ccsc1C)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine?
The InChIKey is DCZCBJOVLFWGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-5-9-15-14(12(6-2)7-3)13-8-10-16-11(13)4/h8,10,12,14-15H,5-7,9H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine?
2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 102841986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).