(3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine

C10H16FN — CID 143347085

IUPAC(3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine
SMILESC=C/C(F)=C(C)\C=C(/C)CCN
InChIInChI=1S/C10H16FN/c1-4-10(11)9(3)7-8(2)5-6-12/h4,7H,1,5-6,12H2,2-3H3/b8-7+,10-9+
InChIKeyQXCQLFKFRCPUMX-XBLVEGMJSA-N
MW169.24 g/mol
LogP2.71
Rot. Bonds4

About (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine

(3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine (PubChem CID 143347085) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine
PubChem CID143347085
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine
SMILESC=C/C(F)=C(C)\C=C(/C)CCN
InChIInChI=1S/C10H16FN/c1-4-10(11)9(3)7-8(2)5-6-12/h4,7H,1,5-6,12H2,2-3H3/b8-7+,10-9+
InChIKeyQXCQLFKFRCPUMX-XBLVEGMJSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E)-3-fluoro-4,6-dimethylhepta-1,3,5-triene
CID 176957823
2-fluorobuta-1,3-diene;3-methylbut-3-en-1-amine
CID 144685444
5-amino-3-methylpent-2-en-1-ol
CID 167443308
(3Z,5Z)-3-methylocta-3,5,7-trien-1-amine
CID 89153979
(Z)-3,6-dimethylhept-3-en-1-amine
CID 178015880
(4E)-2,3,5-trimethylocta-2,4-diene
CID 144603275
3-[(ethylideneamino)methylidene]pent-4-en-1-amine
CID 123329638
(2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine
CID 142099703
ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
CID 142002928
(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol
CID 145285923
ethane;(3E)-5-fluoro-6-methylhepta-1,3,5-trien-3-amine
CID 145356068
(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane
CID 145285922

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine?
The IUPAC name of (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine (CID 143347085) is (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine.
What is the SMILES notation for (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine?
The canonical SMILES for (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine is C=C/C(F)=C(C)\C=C(/C)CCN.
What is the InChIKey of (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine?
The InChIKey is QXCQLFKFRCPUMX-XBLVEGMJSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-10(11)9(3)7-8(2)5-6-12/h4,7H,1,5-6,12H2,2-3H3/b8-7+,10-9+.
What are the key properties of (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine?
(3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine is sourced from PubChem (CID 143347085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).