N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine

C8H17F3N2O — CID 176601179

IUPACN'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine
SMILESCC(C)N(C)CCNCOC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(2)13(3)5-4-12-6-14-8(9,10)11/h7,12H,4-6H2,1-3H3
InChIKeyZMHPAOXJZHYRLK-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.41
Rot. Bonds6

About N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine

N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine (PubChem CID 176601179) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine
PubChem CID176601179
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC NameN'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine
SMILESCC(C)N(C)CCNCOC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(2)13(3)5-4-12-6-14-8(9,10)11/h7,12H,4-6H2,1-3H3
InChIKeyZMHPAOXJZHYRLK-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64554827
N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635072
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639944
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
N'-methyl-N'-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448473
N-(2-hydrazinylethyl)-N-methylpropan-2-amine
CID 91618347

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine (CID 176601179) is N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine is CC(C)N(C)CCNCOC(F)(F)F.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine?
The InChIKey is ZMHPAOXJZHYRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-7(2)13(3)5-4-12-6-14-8(9,10)11/h7,12H,4-6H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine?
N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine has a molecular weight of 214.23 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine is sourced from PubChem (CID 176601179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).