N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H23F3N2 — CID 62428580

IUPACN-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H23F3N2/c1-9(2)7-15-5-6-16(10(3)4)8-11(12,13)14/h9-10,15H,5-8H2,1-4H3
InChIKeyVESCLCMKBPQHJW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.50
Rot. Bonds7

About N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62428580) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62428580
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC NameN-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H23F3N2/c1-9(2)7-15-5-6-16(10(3)4)8-11(12,13)14/h9-10,15H,5-8H2,1-4H3
InChIKeyVESCLCMKBPQHJW-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62428580) is N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(C)CNCCN(CC(F)(F)F)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VESCLCMKBPQHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-9(2)7-15-5-6-16(10(3)4)8-11(12,13)14/h9-10,15H,5-8H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62428580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).