N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C11H23F3N2 — CID 62426258

IUPACN-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(C)CNC(C)C)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-5-16(8-11(12,13)14)7-10(4)6-15-9(2)3/h9-10,15H,5-8H2,1-4H3
InChIKeyDIFBONDFKIMFCO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.50
Rot. Bonds7

About N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62426258) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62426258
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC NameN-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(C)CNC(C)C)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-5-16(8-11(12,13)14)7-10(4)6-15-9(2)3/h9-10,15H,5-8H2,1-4H3
InChIKeyDIFBONDFKIMFCO-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-methyl-N'-propan-2-yl-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

Related Compounds

2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428588
N,2-dimethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426117
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62426089
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
1-N-ethyl-2,2-dimethyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 66455583
N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233130
N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79480297
N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62462801
N'-ethyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555477
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol
CID 79390220

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62426258) is N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCN(CC(C)CNC(C)C)CC(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is DIFBONDFKIMFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-5-16(8-11(12,13)14)7-10(4)6-15-9(2)3/h9-10,15H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62426258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).