N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C15H31F3N2 — CID 62257439

IUPACN-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(F)(F)F)CC(C)(CC)CNC(C)(C)C
InChIInChI=1S/C15H31F3N2/c1-7-9-20(12-15(16,17)18)11-14(6,8-2)10-19-13(3,4)5/h19H,7-12H2,1-6H3
InChIKeyDQNDHPBWKVUWFI-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.07
Rot. Bonds8

About N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62257439) has the molecular formula C15H31F3N2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62257439
Molecular FormulaC15H31F3N2
Molecular Weight296.42 g/mol
Exact Mass296.24
IUPAC NameN-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(F)(F)F)CC(C)(CC)CNC(C)(C)C
InChIInChI=1S/C15H31F3N2/c1-7-9-20(12-15(16,17)18)11-14(6,8-2)10-19-13(3,4)5/h19H,7-12H2,1-6H3
InChIKeyDQNDHPBWKVUWFI-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62257439) is N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCN(CC(F)(F)F)CC(C)(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is DQNDHPBWKVUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2/c1-7-9-20(12-15(16,17)18)11-14(6,8-2)10-19-13(3,4)5/h19H,7-12H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 296.42 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62257439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).