N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H27F3N2O — CID 62553664

IUPACN-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H27F3N2O/c1-4-19-10-6-5-7-17-8-9-18(12(2)3)11-13(14,15)16/h12,17H,4-11H2,1-3H3
InChIKeyDDZANONSULKOFU-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.67
Rot. Bonds11

About N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62553664) has the molecular formula C13H27F3N2O and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62553664
Molecular FormulaC13H27F3N2O
Molecular Weight284.37 g/mol
Exact Mass284.21
IUPAC NameN-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H27F3N2O/c1-4-19-10-6-5-7-17-8-9-18(12(2)3)11-13(14,15)16/h12,17H,4-11H2,1-3H3
InChIKeyDDZANONSULKOFU-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethoxybutyl)-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-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62553664) is N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCOCCCCNCCN(CC(F)(F)F)C(C)C.
What is the InChIKey of N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is DDZANONSULKOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O/c1-4-19-10-6-5-7-17-8-9-18(12(2)3)11-13(14,15)16/h12,17H,4-11H2,1-3H3.
What are the key properties of N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 284.37 g/mol, XLogP of 2.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62553664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).