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

C11H21F3N2O — CID 114133320

IUPAC2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
SMILESCC(CNCCOCC(F)(F)F)N(C)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-9(16(2)10-3-4-10)7-15-5-6-17-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyGAZHLAFTZVAPCU-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds8

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

2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine (PubChem CID 114133320) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
PubChem CID114133320
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
SMILESCC(CNCCOCC(F)(F)F)N(C)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-9(16(2)10-3-4-10)7-15-5-6-17-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyGAZHLAFTZVAPCU-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
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-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883
N-cyclopropyl-N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 63828584
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62557645
2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106117233
N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62636452
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61490482
2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine
CID 115907091
N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine (CID 114133320) is 2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine is CC(CNCCOCC(F)(F)F)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine?
The InChIKey is GAZHLAFTZVAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(16(2)10-3-4-10)7-15-5-6-17-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine?
2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine is sourced from PubChem (CID 114133320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).