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

C16H33F3N2 — CID 62258342

IUPACN-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H33F3N2/c1-8-9-15(7,10-20-14(4,5)6)11-21(13(2)3)12-16(17,18)19/h13,20H,8-12H2,1-7H3
InChIKeyVNEAOXDFPNWTKZ-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.45
Rot. Bonds8

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

N-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62258342) has the molecular formula C16H33F3N2 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62258342
Molecular FormulaC16H33F3N2
Molecular Weight310.45 g/mol
Exact Mass310.26
IUPAC NameN-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H33F3N2/c1-8-9-15(7,10-20-14(4,5)6)11-21(13(2)3)12-16(17,18)19/h13,20H,8-12H2,1-7H3
InChIKeyVNEAOXDFPNWTKZ-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.45
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-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62258342) is N-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCC(C)(CNC(C)(C)C)CN(CC(F)(F)F)C(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is VNEAOXDFPNWTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F3N2/c1-8-9-15(7,10-20-14(4,5)6)11-21(13(2)3)12-16(17,18)19/h13,20H,8-12H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-tert-butyl-2-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 310.45 g/mol, XLogP of 4.45, 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-methyl-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62258342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).