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

C14H29F3N2 — CID 62256863

IUPACN-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C14H29F3N2/c1-7-8-13(5,9-18-12(2,3)4)10-19(6)11-14(15,16)17/h18H,7-11H2,1-6H3
InChIKeyBCFXDSDELAVGQI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds7

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

N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62256863) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62256863
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC NameN-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C14H29F3N2/c1-7-8-13(5,9-18-12(2,3)4)10-19(6)11-14(15,16)17/h18H,7-11H2,1-6H3
InChIKeyBCFXDSDELAVGQI-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62256863) is N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCC(C)(CNC(C)(C)C)CN(C)CC(F)(F)F.
What is the InChIKey of N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is BCFXDSDELAVGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-7-8-13(5,9-18-12(2,3)4)10-19(6)11-14(15,16)17/h18H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62256863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).