1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine

C6H14F3N3 — CID 139443820

IUPAC1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine
SMILESCCN(C)C(N(C)N)C(F)(F)F
InChIInChI=1S/C6H14F3N3/c1-4-11(2)5(12(3)10)6(7,8)9/h5H,4,10H2,1-3H3
InChIKeyWIHZQDAUQPIBOX-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.63
Rot. Bonds3

About 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine

1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine (PubChem CID 139443820) has the molecular formula C6H14F3N3 and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine
PubChem CID139443820
Molecular FormulaC6H14F3N3
Molecular Weight185.19 g/mol
Exact Mass185.11
IUPAC Name1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine
SMILESCCN(C)C(N(C)N)C(F)(F)F
InChIInChI=1S/C6H14F3N3/c1-4-11(2)5(12(3)10)6(7,8)9/h5H,4,10H2,1-3H3
InChIKeyWIHZQDAUQPIBOX-UHFFFAOYSA-N
XLogP0.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine (CID 139443820) is 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine is CCN(C)C(N(C)N)C(F)(F)F.
What is the InChIKey of 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is WIHZQDAUQPIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3/c1-4-11(2)5(12(3)10)6(7,8)9/h5H,4,10H2,1-3H3.
What are the key properties of 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine?
1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 185.19 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)amino]-N-ethyl-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 139443820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).