N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H23F3N2 — CID 62556125

IUPACN-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNC(C1CC1)C1CC1)CC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-2-18(9-13(14,15)16)8-7-17-12(10-3-4-10)11-5-6-11/h10-12,17H,2-9H2,1H3
InChIKeyVSYCMLKNXZZOPE-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.65
Rot. Bonds8

About N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62556125) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62556125
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNC(C1CC1)C1CC1)CC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-2-18(9-13(14,15)16)8-7-17-12(10-3-4-10)11-5-6-11/h10-12,17H,2-9H2,1H3
InChIKeyVSYCMLKNXZZOPE-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(dicyclopropylmethyl)-N'-ethyl-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-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62556125) is N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CCNC(C1CC1)C1CC1)CC(F)(F)F.
What is the InChIKey of N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VSYCMLKNXZZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-2-18(9-13(14,15)16)8-7-17-12(10-3-4-10)11-5-6-11/h10-12,17H,2-9H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).