N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C10H21F3N2 — CID 62256036

IUPACN',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(C)(CC)CN
InChIInChI=1S/C10H21F3N2/c1-4-9(3,6-14)7-15(5-2)8-10(11,12)13/h4-8,14H2,1-3H3
InChIKeyNNQMUFZYPRILST-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.25
Rot. Bonds6

About N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62256036) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62256036
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(C)(CC)CN
InChIInChI=1S/C10H21F3N2/c1-4-9(3,6-14)7-15(5-2)8-10(11,12)13/h4-8,14H2,1-3H3
InChIKeyNNQMUFZYPRILST-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62256036) is N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCN(CC(F)(F)F)CC(C)(CC)CN.
What is the InChIKey of N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is NNQMUFZYPRILST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-4-9(3,6-14)7-15(5-2)8-10(11,12)13/h4-8,14H2,1-3H3.
What are the key properties of N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62256036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).