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

C12H25F3N2O — CID 54986284

IUPACN'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCCN(CCCOCC(F)(F)F)CCNC(C)C
InChIInChI=1S/C12H25F3N2O/c1-4-17(8-6-16-11(2)3)7-5-9-18-10-12(13,14)15/h11,16H,4-10H2,1-3H3
InChIKeyUEFOLJHYHIXSIJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.30
Rot. Bonds10

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

N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 54986284) has the molecular formula C12H25F3N2O and a molecular weight of 270.33 g/mol. Its IUPAC name is N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID54986284
Molecular FormulaC12H25F3N2O
Molecular Weight270.33 g/mol
Exact Mass270.19
IUPAC NameN'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCCN(CCCOCC(F)(F)F)CCNC(C)C
InChIInChI=1S/C12H25F3N2O/c1-4-17(8-6-16-11(2)3)7-5-9-18-10-12(13,14)15/h11,16H,4-10H2,1-3H3
InChIKeyUEFOLJHYHIXSIJ-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity198

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,2,2-Trifluoroethoxy)propyl]piperazine
CID 45792290
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 61491337
N'-methyl-N-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65805213
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65805830
1-(2,2-Difluoro-3-methoxypropyl)piperazine
CID 68013394
2,2-difluoro-3-[4-(4-methylpiperazin-1-yl)butoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 142596972
N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine
CID 144867809
1-[2-Methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 144867858
N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-N-(trifluoromethyl)propane-1,3-diamine
CID 145366174
N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine
CID 145366179
4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine
CID 155183422

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 54986284) is N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CCN(CCCOCC(F)(F)F)CCNC(C)C.
What is the InChIKey of N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is UEFOLJHYHIXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-4-17(8-6-16-11(2)3)7-5-9-18-10-12(13,14)15/h11,16H,4-10H2,1-3H3.
What are the key properties of N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 270.33 g/mol, XLogP of 2.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 54986284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).