1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine

C14H24ClNS — CID 114201788

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)C)c1ccc(Cl)s1
InChIInChI=1S/C14H24ClNS/c1-5-16-12(9-11(4)8-10(2)3)13-6-7-14(15)17-13/h6-7,10-12,16H,5,8-9H2,1-4H3
InChIKeyMMEMFCCGIPUBBY-UHFFFAOYSA-N
MW273.87 g/mol
LogP5.12
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine (PubChem CID 114201788) has the molecular formula C14H24ClNS and a molecular weight of 273.87 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
PubChem CID114201788
Molecular FormulaC14H24ClNS
Molecular Weight273.87 g/mol
Exact Mass273.13
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)C)c1ccc(Cl)s1
InChIInChI=1S/C14H24ClNS/c1-5-16-12(9-11(4)8-10(2)3)13-6-7-14(15)17-13/h6-7,10-12,16H,5,8-9H2,1-4H3
InChIKeyMMEMFCCGIPUBBY-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.87
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine
CID 115845349
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028730
1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43492060
1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547063
2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 79988041
1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103149716
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[1-(5-chlorothiophen-2-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716203

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine (CID 114201788) is 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine is CCNC(CC(C)CC(C)C)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine?
The InChIKey is MMEMFCCGIPUBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNS/c1-5-16-12(9-11(4)8-10(2)3)13-6-7-14(15)17-13/h6-7,10-12,16H,5,8-9H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine has a molecular weight of 273.87 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine is sourced from PubChem (CID 114201788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).