(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine

C10H16FN — CID 129055567

IUPAC(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine
SMILESC=CC(C)N(C)/C(F)=C\C=C\C
InChIInChI=1S/C10H16FN/c1-5-7-8-10(11)12(4)9(3)6-2/h5-9H,2H2,1,3-4H3/b7-5+,10-8-
InChIKeyORTSGJBPRBNKFC-MBRJEVFCSA-N
MW169.24 g/mol
LogP2.88
Rot. Bonds4

About (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine

(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine (PubChem CID 129055567) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine
PubChem CID129055567
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine
SMILESC=CC(C)N(C)/C(F)=C\C=C\C
InChIInChI=1S/C10H16FN/c1-5-7-8-10(11)12(4)9(3)6-2/h5-9H,2H2,1,3-4H3/b7-5+,10-8-
InChIKeyORTSGJBPRBNKFC-MBRJEVFCSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine (CID 129055567) is (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine is C=CC(C)N(C)/C(F)=C\C=C\C.
What is the InChIKey of (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine?
The InChIKey is ORTSGJBPRBNKFC-MBRJEVFCSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-7-8-10(11)12(4)9(3)6-2/h5-9H,2H2,1,3-4H3/b7-5+,10-8-.
What are the key properties of (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine?
(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 129055567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).