1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C12H25F3N2 — CID 62427552

IUPAC1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(CNCC)C(C)C
InChIInChI=1S/C12H25F3N2/c1-5-7-17(9-12(13,14)15)11(10(3)4)8-16-6-2/h10-11,16H,5-9H2,1-4H3
InChIKeyZTDWSQNSLFZVDU-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.89
Rot. Bonds8

About 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 62427552) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID62427552
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC Name1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(CNCC)C(C)C
InChIInChI=1S/C12H25F3N2/c1-5-7-17(9-12(13,14)15)11(10(3)4)8-16-6-2/h10-11,16H,5-9H2,1-4H3
InChIKeyZTDWSQNSLFZVDU-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428626
3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 114998356
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62558170
1-N-cyclopropyl-2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427857
2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
CID 102997714
1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225901
2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine
CID 79668130
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62422151
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
1-N-ethyl-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 62461668
2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64826092

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 62427552) is 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is CCCN(CC(F)(F)F)C(CNCC)C(C)C.
What is the InChIKey of 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is ZTDWSQNSLFZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-5-7-17(9-12(13,14)15)11(10(3)4)8-16-6-2/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 62427552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).