(E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine

C13H26FN — CID 174333649

IUPAC(E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine
SMILESCCC(CC)N[C@H](C)/C=C(/CF)C(C)C
InChIInChI=1S/C13H26FN/c1-6-13(7-2)15-11(5)8-12(9-14)10(3)4/h8,10-11,13,15H,6-7,9H2,1-5H3/b12-8-/t11-/m1/s1
InChIKeySVQOBDWUCBJSHP-HQQGHWSLSA-N
MW215.36 g/mol
LogP3.70
Rot. Bonds7

About (E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine

(E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine (PubChem CID 174333649) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is (E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine.

Molecular Properties

Compound Name(E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine
PubChem CID174333649
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name(E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine
SMILESCCC(CC)N[C@H](C)/C=C(/CF)C(C)C
InChIInChI=1S/C13H26FN/c1-6-13(7-2)15-11(5)8-12(9-14)10(3)4/h8,10-11,13,15H,6-7,9H2,1-5H3/b12-8-/t11-/m1/s1
InChIKeySVQOBDWUCBJSHP-HQQGHWSLSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.70
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,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine?
The IUPAC name of (E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine (CID 174333649) is (E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine.
What is the SMILES notation for (E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine?
The canonical SMILES for (E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine is CCC(CC)N[C@H](C)/C=C(/CF)C(C)C.
What is the InChIKey of (E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine?
The InChIKey is SVQOBDWUCBJSHP-HQQGHWSLSA-N. The full InChI is InChI=1S/C13H26FN/c1-6-13(7-2)15-11(5)8-12(9-14)10(3)4/h8,10-11,13,15H,6-7,9H2,1-5H3/b12-8-/t11-/m1/s1.
What are the key properties of (E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine?
(E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine has a molecular weight of 215.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-(fluoromethyl)-5-methyl-N-pentan-3-ylhex-3-en-2-amine is sourced from PubChem (CID 174333649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).