(E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine

C9H18FN — CID 166651412

IUPAC(E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine
SMILESCNC(C)/C=C(\C)C(C)(C)F
InChIInChI=1S/C9H18FN/c1-7(9(3,4)10)6-8(2)11-5/h6,8,11H,1-5H3/b7-6+
InChIKeySUCNIMKZDKBQEF-VOTSOKGWSA-N
MW159.25 g/mol
LogP2.29
Rot. Bonds3

About (E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine

(E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine (PubChem CID 166651412) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine.

Molecular Properties

Compound Name(E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine
PubChem CID166651412
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine
SMILESCNC(C)/C=C(\C)C(C)(C)F
InChIInChI=1S/C9H18FN/c1-7(9(3,4)10)6-8(2)11-5/h6,8,11H,1-5H3/b7-6+
InChIKeySUCNIMKZDKBQEF-VOTSOKGWSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.29
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)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine?
The IUPAC name of (E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine (CID 166651412) is (E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine.
What is the SMILES notation for (E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine?
The canonical SMILES for (E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine is CNC(C)/C=C(\C)C(C)(C)F.
What is the InChIKey of (E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine?
The InChIKey is SUCNIMKZDKBQEF-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(9(3,4)10)6-8(2)11-5/h6,8,11H,1-5H3/b7-6+.
What are the key properties of (E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine?
(E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine is sourced from PubChem (CID 166651412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).