N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine

C14H25NS — CID 115860879

IUPACN-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
SMILESCCNC(CCc1cccs1)CC(C)CC
InChIInChI=1S/C14H25NS/c1-4-12(3)11-13(15-5-2)8-9-14-7-6-10-16-14/h6-7,10,12-13,15H,4-5,8-9,11H2,1-3H3
InChIKeyZSHQZIUACDEBFD-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.09
Rot. Bonds8

About N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine

N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine (PubChem CID 115860879) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
PubChem CID115860879
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
SMILESCCNC(CCc1cccs1)CC(C)CC
InChIInChI=1S/C14H25NS/c1-4-12(3)11-13(15-5-2)8-9-14-7-6-10-16-14/h6-7,10,12-13,15H,4-5,8-9,11H2,1-3H3
InChIKeyZSHQZIUACDEBFD-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine
CID 105137843
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65143428
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
CID 105150411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine?
The IUPAC name of N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine (CID 115860879) is N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine.
What is the SMILES notation for N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine?
The canonical SMILES for N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine is CCNC(CCc1cccs1)CC(C)CC.
What is the InChIKey of N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine?
The InChIKey is ZSHQZIUACDEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-12(3)11-13(15-5-2)8-9-14-7-6-10-16-14/h6-7,10,12-13,15H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine?
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine has a molecular weight of 239.43 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine is sourced from PubChem (CID 115860879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).