(1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine

C7H12FN — CID 166735157

IUPAC(1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine
SMILESCN/C=C(/F)C=C(C)C
InChIInChI=1S/C7H12FN/c1-6(2)4-7(8)5-9-3/h4-5,9H,1-3H3/b7-5+
InChIKeyUHGUGTREBUHIEE-FNORWQNLSA-N
MW129.18 g/mol
LogP1.98
Rot. Bonds2

About (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine

(1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine (PubChem CID 166735157) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine
PubChem CID166735157
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine
SMILESCN/C=C(/F)C=C(C)C
InChIInChI=1S/C7H12FN/c1-6(2)4-7(8)5-9-3/h4-5,9H,1-3H3/b7-5+
InChIKeyUHGUGTREBUHIEE-FNORWQNLSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine?
The IUPAC name of (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine (CID 166735157) is (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine is CN/C=C(/F)C=C(C)C.
What is the InChIKey of (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine?
The InChIKey is UHGUGTREBUHIEE-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12FN/c1-6(2)4-7(8)5-9-3/h4-5,9H,1-3H3/b7-5+.
What are the key properties of (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine?
(1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 166735157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).