(E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine

C9H16FN — CID 170717750

IUPAC(E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine
SMILESCCC(=C\F)/C(=C/NC)CC
InChIInChI=1S/C9H16FN/c1-4-8(6-10)9(5-2)7-11-3/h6-7,11H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeyZGYDNQDGXYOOPA-CDJQDVQCSA-N
MW157.23 g/mol
LogP2.76
Rot. Bonds4

About (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine

(E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine (PubChem CID 170717750) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine.

Molecular Properties

Compound Name(E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine
PubChem CID170717750
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine
SMILESCCC(=C\F)/C(=C/NC)CC
InChIInChI=1S/C9H16FN/c1-4-8(6-10)9(5-2)7-11-3/h6-7,11H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeyZGYDNQDGXYOOPA-CDJQDVQCSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.76
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 (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine?
The IUPAC name of (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine (CID 170717750) is (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine.
What is the SMILES notation for (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine?
The canonical SMILES for (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine is CCC(=C\F)/C(=C/NC)CC.
What is the InChIKey of (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine?
The InChIKey is ZGYDNQDGXYOOPA-CDJQDVQCSA-N. The full InChI is InChI=1S/C9H16FN/c1-4-8(6-10)9(5-2)7-11-3/h6-7,11H,4-5H2,1-3H3/b8-6+,9-7+.
What are the key properties of (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine?
(E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-2-ethyl-3-(fluoromethylidene)-N-methylpent-1-en-1-amine is sourced from PubChem (CID 170717750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).