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

C11H19F3N2 — CID 79261544

IUPACN'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CNCCNC(C1CC1)C1CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)7-15-5-6-16-10(8-1-2-8)9-3-4-9/h8-10,15-16H,1-7H2
InChIKeyJPWPPFBZYRCGNW-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.92
Rot. Bonds7

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

N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 79261544) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID79261544
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CNCCNC(C1CC1)C1CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)7-15-5-6-16-10(8-1-2-8)9-3-4-9/h8-10,15-16H,1-7H2
InChIKeyJPWPPFBZYRCGNW-UHFFFAOYSA-N
XLogP1.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(dicyclopropylmethyl)-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-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 79261544) is N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is FC(F)(F)CNCCNC(C1CC1)C1CC1.
What is the InChIKey of N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is JPWPPFBZYRCGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)7-15-5-6-16-10(8-1-2-8)9-3-4-9/h8-10,15-16H,1-7H2.
What are the key properties of N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 236.28 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dicyclopropylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 79261544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).