1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine

C11H23F3N2O — CID 103208202

IUPAC1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-16(3)8-10(2)15-6-5-7-17-9-11(12,13)14/h10,15H,4-9H2,1-3H3
InChIKeyMYTRKLCZYQNNTQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.89
Rot. Bonds9

About 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine (PubChem CID 103208202) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
PubChem CID103208202
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-16(3)8-10(2)15-6-5-7-17-9-11(12,13)14/h10,15H,4-9H2,1-3H3
InChIKeyMYTRKLCZYQNNTQ-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109645
2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109664
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
2-N-(3-ethoxypropyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 65175830
5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol
CID 103110031
N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62636452
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961663
5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine
CID 103725355
N-(3-propoxypropyl)butan-2-amine
CID 62715458

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine (CID 103208202) is 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine is CCN(C)CC(C)NCCCOCC(F)(F)F.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine?
The InChIKey is MYTRKLCZYQNNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-4-16(3)8-10(2)15-6-5-7-17-9-11(12,13)14/h10,15H,4-9H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine has a molecular weight of 256.31 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine is sourced from PubChem (CID 103208202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).