(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine

C11H20F3N — CID 88588160

IUPAC(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
SMILESCNC(CC/C=C/CC(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-9(2)7-5-4-6-8-10(15-3)11(12,13)14/h4-5,9-10,15H,6-8H2,1-3H3/b5-4+
InChIKeyYVAFZCLHVOKBPK-SNAWJCMRSA-N
MW223.28 g/mol
LogP3.52
Rot. Bonds6

About (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine

(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine (PubChem CID 88588160) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
PubChem CID88588160
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
SMILESCNC(CC/C=C/CC(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-9(2)7-5-4-6-8-10(15-3)11(12,13)14/h4-5,9-10,15H,6-8H2,1-3H3/b5-4+
InChIKeyYVAFZCLHVOKBPK-SNAWJCMRSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.52
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 (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine?
The IUPAC name of (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine (CID 88588160) is (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine.
What is the SMILES notation for (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine?
The canonical SMILES for (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine is CNC(CC/C=C/CC(C)C)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine?
The InChIKey is YVAFZCLHVOKBPK-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20F3N/c1-9(2)7-5-4-6-8-10(15-3)11(12,13)14/h4-5,9-10,15H,6-8H2,1-3H3/b5-4+.
What are the key properties of (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine?
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine has a molecular weight of 223.28 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine is sourced from PubChem (CID 88588160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).