N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H23F3N2 — CID 62554982

IUPACN'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNC(C)(C)CC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-5-10(3,4)15-7-8-16(6-2)9-11(12,13)14/h15H,5-9H2,1-4H3
InChIKeyHQRMPKHEPFKGGS-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds7

About N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62554982) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62554982
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC NameN'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNC(C)(C)CC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-5-10(3,4)15-7-8-16(6-2)9-11(12,13)14/h15H,5-9H2,1-4H3
InChIKeyHQRMPKHEPFKGGS-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62554982) is N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CCNC(C)(C)CC)CC(F)(F)F.
What is the InChIKey of N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is HQRMPKHEPFKGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-5-10(3,4)15-7-8-16(6-2)9-11(12,13)14/h15H,5-9H2,1-4H3.
What are the key properties of N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).