N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

C11H23F3N2O — CID 55097809

IUPACN'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCC(C)N(C)CCNCCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-10(2)16(3)7-6-15-5-4-8-17-9-11(12,13)14/h10,15H,4-9H2,1-3H3
InChIKeyLOAMTJCUVFEBJP-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.00
Rot. Bonds9

About N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 55097809) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID55097809
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC NameN'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCC(C)N(C)CCNCCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-10(2)16(3)7-6-15-5-4-8-17-9-11(12,13)14/h10,15H,4-9H2,1-3H3
InChIKeyLOAMTJCUVFEBJP-UHFFFAOYSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity186

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-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'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 55097809) is N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CC(C)N(C)CCNCCCOCC(F)(F)F.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is LOAMTJCUVFEBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-10(2)16(3)7-6-15-5-4-8-17-9-11(12,13)14/h10,15H,4-9H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 55097809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).