6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine

C10H18F3N — CID 121451147

IUPAC6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(2)5-4-6-9(3)14-7-10(11,12)13/h5,9,14H,4,6-7H2,1-3H3
InChIKeyOIYKZUMVDBPIEG-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.27
Rot. Bonds5

About 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine

6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine (PubChem CID 121451147) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
PubChem CID121451147
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(2)5-4-6-9(3)14-7-10(11,12)13/h5,9,14H,4,6-7H2,1-3H3
InChIKeyOIYKZUMVDBPIEG-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine?
The IUPAC name of 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine (CID 121451147) is 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine is CC(C)=CCCC(C)NCC(F)(F)F.
What is the InChIKey of 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine?
The InChIKey is OIYKZUMVDBPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(2)5-4-6-9(3)14-7-10(11,12)13/h5,9,14H,4,6-7H2,1-3H3.
What are the key properties of 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine?
6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine has a molecular weight of 209.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine is sourced from PubChem (CID 121451147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).