N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H21F3N2 — CID 79261802

IUPACN-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)C(C)CNCCNCC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-8(2)9(3)6-14-4-5-15-7-10(11,12)13/h8-9,14-15H,4-7H2,1-3H3
InChIKeyRQJUQCUAGVODQI-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.02
Rot. Bonds7

About N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 79261802) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID79261802
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)C(C)CNCCNCC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-8(2)9(3)6-14-4-5-15-7-10(11,12)13/h8-9,14-15H,4-7H2,1-3H3
InChIKeyRQJUQCUAGVODQI-UHFFFAOYSA-N
XLogP2.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
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-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 79261802) is N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(C)C(C)CNCCNCC(F)(F)F.
What is the InChIKey of N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is RQJUQCUAGVODQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-8(2)9(3)6-14-4-5-15-7-10(11,12)13/h8-9,14-15H,4-7H2,1-3H3.
What are the key properties of N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 79261802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).