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

C12H25F3N2 — CID 62257915

IUPACN-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(CC(F)(F)F)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C12H25F3N2/c1-10(2,3)16-7-11(4,5)8-17(6)9-12(13,14)15/h16H,7-9H2,1-6H3
InChIKeyBYMIPPMIZSDSJY-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.89
Rot. Bonds5

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

N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62257915) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62257915
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC NameN-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(CC(F)(F)F)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C12H25F3N2/c1-10(2,3)16-7-11(4,5)8-17(6)9-12(13,14)15/h16H,7-9H2,1-6H3
InChIKeyBYMIPPMIZSDSJY-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62257915) is N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CN(CC(F)(F)F)CC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is BYMIPPMIZSDSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-10(2,3)16-7-11(4,5)8-17(6)9-12(13,14)15/h16H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62257915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).