2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine

C14H23F3N2S — CID 116535202

IUPAC2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
SMILESCCN(Cc1cccs1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H23F3N2S/c1-3-19(10-12-6-4-9-20-12)13(2,11-18)7-5-8-14(15,16)17/h4,6,9H,3,5,7-8,10-11,18H2,1-2H3
InChIKeyGYVQPQZUVQBKJG-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.02
Rot. Bonds8

About 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine

2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine (PubChem CID 116535202) has the molecular formula C14H23F3N2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
PubChem CID116535202
Molecular FormulaC14H23F3N2S
Molecular Weight308.41 g/mol
Exact Mass308.15
IUPAC Name2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
SMILESCCN(Cc1cccs1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H23F3N2S/c1-3-19(10-12-6-4-9-20-12)13(2,11-18)7-5-8-14(15,16)17/h4,6,9H,3,5,7-8,10-11,18H2,1-2H3
InChIKeyGYVQPQZUVQBKJG-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine with MolForge

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Related Compounds

2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 66180831
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 61437250
2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine
CID 79475762
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile
CID 116535457
2-amino-1-ethyl-1-(thiophen-2-ylmethyl)guanidine
CID 77053951
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine (CID 116535202) is 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine is CCN(Cc1cccs1)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
The InChIKey is GYVQPQZUVQBKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2S/c1-3-19(10-12-6-4-9-20-12)13(2,11-18)7-5-8-14(15,16)17/h4,6,9H,3,5,7-8,10-11,18H2,1-2H3.
What are the key properties of 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine has a molecular weight of 308.41 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine is sourced from PubChem (CID 116535202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).