(3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine

C14H24FN — CID 146586092

IUPAC(3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine
SMILESC=C(/C=C\C=C(/C)C(C)N(C)CCC)CF
InChIInChI=1S/C14H24FN/c1-6-10-16(5)14(4)13(3)9-7-8-12(2)11-15/h7-9,14H,2,6,10-11H2,1,3-5H3/b8-7-,13-9+
InChIKeyBGIMEHMOVXNVGQ-XTYDYKDCSA-N
MW225.35 g/mol
LogP3.74
Rot. Bonds7

About (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine

(3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine (PubChem CID 146586092) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine
PubChem CID146586092
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine
SMILESC=C(/C=C\C=C(/C)C(C)N(C)CCC)CF
InChIInChI=1S/C14H24FN/c1-6-10-16(5)14(4)13(3)9-7-8-12(2)11-15/h7-9,14H,2,6,10-11H2,1,3-5H3/b8-7-,13-9+
InChIKeyBGIMEHMOVXNVGQ-XTYDYKDCSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine?
The IUPAC name of (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine (CID 146586092) is (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine.
What is the SMILES notation for (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine?
The canonical SMILES for (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine is C=C(/C=C\C=C(/C)C(C)N(C)CCC)CF.
What is the InChIKey of (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine?
The InChIKey is BGIMEHMOVXNVGQ-XTYDYKDCSA-N. The full InChI is InChI=1S/C14H24FN/c1-6-10-16(5)14(4)13(3)9-7-8-12(2)11-15/h7-9,14H,2,6,10-11H2,1,3-5H3/b8-7-,13-9+.
What are the key properties of (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine?
(3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine has a molecular weight of 225.35 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine is sourced from PubChem (CID 146586092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).