(2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine

C11H18FN — CID 155261002

IUPAC(2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=C/C=C(CN(C)C)\C(C)=C(/C)F
InChIInChI=1S/C11H18FN/c1-6-7-11(8-13(4)5)9(2)10(3)12/h6-7H,1,8H2,2-5H3/b10-9+,11-7-
InChIKeyFKIGWERFDMROTJ-IGLMIBSPSA-N
MW183.27 g/mol
LogP2.92
Rot. Bonds4

About (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine

(2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine (PubChem CID 155261002) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine
PubChem CID155261002
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=C/C=C(CN(C)C)\C(C)=C(/C)F
InChIInChI=1S/C11H18FN/c1-6-7-11(8-13(4)5)9(2)10(3)12/h6-7H,1,8H2,2-5H3/b10-9+,11-7-
InChIKeyFKIGWERFDMROTJ-IGLMIBSPSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.92
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 (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine (CID 155261002) is (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine is C=C/C=C(CN(C)C)\C(C)=C(/C)F.
What is the InChIKey of (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine?
The InChIKey is FKIGWERFDMROTJ-IGLMIBSPSA-N. The full InChI is InChI=1S/C11H18FN/c1-6-7-11(8-13(4)5)9(2)10(3)12/h6-7H,1,8H2,2-5H3/b10-9+,11-7-.
What are the key properties of (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine?
(2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 155261002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).