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

C10H21F3N2 — CID 60892927

IUPACN-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(CCCNC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-9(2,3)14-6-5-7-15(4)8-10(11,12)13/h14H,5-8H2,1-4H3
InChIKeyISRDGAJNIJBABY-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.26
Rot. Bonds5

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

N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 60892927) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID60892927
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(CCCNC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-9(2,3)14-6-5-7-15(4)8-10(11,12)13/h14H,5-8H2,1-4H3
InChIKeyISRDGAJNIJBABY-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 60892927) is N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CN(CCCNC(C)(C)C)CC(F)(F)F.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is ISRDGAJNIJBABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-9(2,3)14-6-5-7-15(4)8-10(11,12)13/h14H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-tert-butyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.26, 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'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 60892927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).