(6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine

C12H22FN — CID 166855528

IUPAC(6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine
SMILESC=C(C)C(C)/C=C/C(N)CCCCF
InChIInChI=1S/C12H22FN/c1-10(2)11(3)7-8-12(14)6-4-5-9-13/h7-8,11-12H,1,4-6,9,14H2,2-3H3/b8-7+
InChIKeyXFRIVZWIIZYQCY-BQYQJAHWSA-N
MW199.31 g/mol
LogP3.22
Rot. Bonds7

About (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine

(6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine (PubChem CID 166855528) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine.

Molecular Properties

Compound Name(6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine
PubChem CID166855528
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine
SMILESC=C(C)C(C)/C=C/C(N)CCCCF
InChIInChI=1S/C12H22FN/c1-10(2)11(3)7-8-12(14)6-4-5-9-13/h7-8,11-12H,1,4-6,9,14H2,2-3H3/b8-7+
InChIKeyXFRIVZWIIZYQCY-BQYQJAHWSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine?
The IUPAC name of (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine (CID 166855528) is (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine.
What is the SMILES notation for (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine?
The canonical SMILES for (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine is C=C(C)C(C)/C=C/C(N)CCCCF.
What is the InChIKey of (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine?
The InChIKey is XFRIVZWIIZYQCY-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H22FN/c1-10(2)11(3)7-8-12(14)6-4-5-9-13/h7-8,11-12H,1,4-6,9,14H2,2-3H3/b8-7+.
What are the key properties of (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine?
(6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine has a molecular weight of 199.31 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine is sourced from PubChem (CID 166855528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).