N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H25F3N2 — CID 62554497

IUPACN'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CCCNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2/c1-11(2)4-3-7-17-8-9-18(12-5-6-12)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyHPSHCJFEHBHXAW-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds9

About N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62554497) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62554497
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CCCNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2/c1-11(2)4-3-7-17-8-9-18(12-5-6-12)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyHPSHCJFEHBHXAW-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-cyclopropyl-N-(4-methylpentyl)-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'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62554497) is N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(C)CCCNCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is HPSHCJFEHBHXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-11(2)4-3-7-17-8-9-18(12-5-6-12)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).