N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine

C14H23F3N2S — CID 116534134

IUPACN,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
SMILESCC(CCCC(F)(F)F)NCC(c1cccs1)N(C)C
InChIInChI=1S/C14H23F3N2S/c1-11(6-4-8-14(15,16)17)18-10-12(19(2)3)13-7-5-9-20-13/h5,7,9,11-12,18H,4,6,8,10H2,1-3H3
InChIKeyCATKDOMCDMPFNY-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.06
Rot. Bonds8

About N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine

N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine (PubChem CID 116534134) has the molecular formula C14H23F3N2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
PubChem CID116534134
Molecular FormulaC14H23F3N2S
Molecular Weight308.41 g/mol
Exact Mass308.15
IUPAC NameN,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
SMILESCC(CCCC(F)(F)F)NCC(c1cccs1)N(C)C
InChIInChI=1S/C14H23F3N2S/c1-11(6-4-8-14(15,16)17)18-10-12(19(2)3)13-7-5-9-20-13/h5,7,9,11-12,18H,4,6,8,10H2,1-3H3
InChIKeyCATKDOMCDMPFNY-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol
CID 65332852
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43363267
N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 42958412
N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43106519
N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43770187
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
N'-[1-(5-bromofuran-2-yl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 104652184

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine (CID 116534134) is N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine is CC(CCCC(F)(F)F)NCC(c1cccs1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine?
The InChIKey is CATKDOMCDMPFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2S/c1-11(6-4-8-14(15,16)17)18-10-12(19(2)3)13-7-5-9-20-13/h5,7,9,11-12,18H,4,6,8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine?
N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine has a molecular weight of 308.41 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 116534134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).