1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C13H20Cl2N2S — CID 102613567

IUPAC1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(NCC1(N(C)C)CCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H20Cl2N2S/c1-9(10-7-11(14)18-12(10)15)16-8-13(17(2)3)5-4-6-13/h7,9,16H,4-6,8H2,1-3H3
InChIKeyOPXWZFNXLNOJIV-UHFFFAOYSA-N
MW307.29 g/mol
LogP4.19
Rot. Bonds5

About 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 102613567) has the molecular formula C13H20Cl2N2S and a molecular weight of 307.29 g/mol. Its IUPAC name is 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID102613567
Molecular FormulaC13H20Cl2N2S
Molecular Weight307.29 g/mol
Exact Mass306.07
IUPAC Name1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(NCC1(N(C)C)CCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H20Cl2N2S/c1-9(10-7-11(14)18-12(10)15)16-8-13(17(2)3)5-4-6-13/h7,9,16H,4-6,8H2,1-3H3
InChIKeyOPXWZFNXLNOJIV-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81300272
2-[1-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]benzene-1,4-diol
CID 105415008
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol
CID 115929592
2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103786858
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613571
1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415755
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415003
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716103

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 102613567) is 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CC(NCC1(N(C)C)CCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is OPXWZFNXLNOJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2S/c1-9(10-7-11(14)18-12(10)15)16-8-13(17(2)3)5-4-6-13/h7,9,16H,4-6,8H2,1-3H3.
What are the key properties of 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 307.29 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 102613567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).