2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine

C11H23F3N2 — CID 115520295

IUPAC2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine
SMILESCCNC(C)(C)CNCCCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-16-10(2,3)9-15-8-6-5-7-11(12,13)14/h15-16H,4-9H2,1-3H3
InChIKeyIHMVZUSWRMGVQA-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.70
Rot. Bonds8

About 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine

2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine (PubChem CID 115520295) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine
PubChem CID115520295
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine
SMILESCCNC(C)(C)CNCCCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-16-10(2,3)9-15-8-6-5-7-11(12,13)14/h15-16H,4-9H2,1-3H3
InChIKeyIHMVZUSWRMGVQA-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine (CID 115520295) is 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine is CCNC(C)(C)CNCCCCC(F)(F)F.
What is the InChIKey of 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine?
The InChIKey is IHMVZUSWRMGVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-4-16-10(2,3)9-15-8-6-5-7-11(12,13)14/h15-16H,4-9H2,1-3H3.
What are the key properties of 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine?
2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine is sourced from PubChem (CID 115520295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).