1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C13H27F3N2O — CID 103225901

IUPAC1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(CNC(C)(C)C)COC
InChIInChI=1S/C13H27F3N2O/c1-6-7-18(10-13(14,15)16)11(9-19-5)8-17-12(2,3)4/h11,17H,6-10H2,1-5H3
InChIKeyYSHIFMNNZKWZRI-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.66
Rot. Bonds8

About 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 103225901) has the molecular formula C13H27F3N2O and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID103225901
Molecular FormulaC13H27F3N2O
Molecular Weight284.37 g/mol
Exact Mass284.21
IUPAC Name1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(CNC(C)(C)C)COC
InChIInChI=1S/C13H27F3N2O/c1-6-7-18(10-13(14,15)16)11(9-19-5)8-17-12(2,3)4/h11,17H,6-10H2,1-5H3
InChIKeyYSHIFMNNZKWZRI-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine
CID 103225490
1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine
CID 103226050
3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 103224693
1-N-tert-butyl-2-N-[3-(dimethylamino)propyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226630
1-N-tert-butyl-2-N-(cyclopropylmethyl)-2-N-propylbutane-1,2-diamine
CID 62430592
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427552
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225819
1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428626
2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107494968

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 103225901) is 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCCN(CC(F)(F)F)C(CNC(C)(C)C)COC.
What is the InChIKey of 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is YSHIFMNNZKWZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O/c1-6-7-18(10-13(14,15)16)11(9-19-5)8-17-12(2,3)4/h11,17H,6-10H2,1-5H3.
What are the key properties of 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 284.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 103225901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).