1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine

C12H25F3N2O — CID 54963578

IUPAC1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCOCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-10(2)7-11(8-17(3)4)16-5-6-18-9-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyBGGKADMJLRPILG-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.13
Rot. Bonds9

About 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine (PubChem CID 54963578) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine
PubChem CID54963578
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCOCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-10(2)7-11(8-17(3)4)16-5-6-18-9-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyBGGKADMJLRPILG-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.13
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

N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
1-methoxy-3-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 123233577
4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 160816876
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
ethane;2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334266
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 172334325
N-methyl-2-(trifluoromethoxy)-N-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334571
N-ethyl-2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334627
N-methyl-2-(4-methylpyrrolidin-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334745
ethane;N-methyl-2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334839
N-methyl-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]oxetan-3-amine
CID 172334981
N-methyl-N-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]oxetan-3-amine
CID 172334985

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine (CID 54963578) is 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine is CC(C)CC(CN(C)C)NCCOCC(F)(F)F.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine?
The InChIKey is BGGKADMJLRPILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-10(2)7-11(8-17(3)4)16-5-6-18-9-12(13,14)15/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine is sourced from PubChem (CID 54963578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).