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

C11H19FN2 — CID 154956639

IUPAC(2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CC(CF)C1
InChIInChI=1S/C11H19FN2/c1-10(5-4-6-13(2)3)14-8-11(7-12)9-14/h4-5,11H,1,6-9H2,2-3H3/b5-4+
InChIKeyDRCIIYOORZGXBS-SNAWJCMRSA-N
MW198.28 g/mol
LogP1.52
Rot. Bonds5

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

(2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine (PubChem CID 154956639) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is (2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine
PubChem CID154956639
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name(2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CC(CF)C1
InChIInChI=1S/C11H19FN2/c1-10(5-4-6-13(2)3)14-8-11(7-12)9-14/h4-5,11H,1,6-9H2,2-3H3/b5-4+
InChIKeyDRCIIYOORZGXBS-SNAWJCMRSA-N
XLogP1.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine (CID 154956639) is (2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine is C=C(/C=C/CN(C)C)N1CC(CF)C1.
What is the InChIKey of (2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine?
The InChIKey is DRCIIYOORZGXBS-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H19FN2/c1-10(5-4-6-13(2)3)14-8-11(7-12)9-14/h4-5,11H,1,6-9H2,2-3H3/b5-4+.
What are the key properties of (2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine?
(2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine has a molecular weight of 198.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-[3-(fluoromethyl)azetidin-1-yl]-N,N-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 154956639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).