N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine

C9H19F3N2 — CID 62427958

IUPACN-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
SMILESCCNCCCCN(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-3-13-6-4-5-7-14(2)8-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyAJTMOWAULJOBFU-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.87
Rot. Bonds7

About N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine

N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine (PubChem CID 62427958) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
PubChem CID62427958
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC NameN-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
SMILESCCNCCCCN(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-3-13-6-4-5-7-14(2)8-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyAJTMOWAULJOBFU-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride
CID 115607183
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
CID 62461728
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 81068457
ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen
CID 145215099
2-methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-pentylguanidine
CID 111128687
1-ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-pentylguanidine
CID 111128409
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115622503
N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 55074202

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine (CID 62427958) is N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine is CCNCCCCN(C)CC(F)(F)F.
What is the InChIKey of N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
The InChIKey is AJTMOWAULJOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-3-13-6-4-5-7-14(2)8-9(10,11)12/h13H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine has a molecular weight of 212.26 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine is sourced from PubChem (CID 62427958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).