1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine

C13H21FN2 — CID 126490133

IUPAC1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESC=C/C(F)=C(\C=C/C)N1CCC(N(C)C)C1
InChIInChI=1S/C13H21FN2/c1-5-7-13(12(14)6-2)16-9-8-11(10-16)15(3)4/h5-7,11H,2,8-10H2,1,3-4H3/b7-5-,13-12-
InChIKeyHDUWXSHESQZYNB-TXTXDJJGSA-N
MW224.32 g/mol
LogP2.57
Rot. Bonds4

About 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine

1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 126490133) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID126490133
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESC=C/C(F)=C(\C=C/C)N1CCC(N(C)C)C1
InChIInChI=1S/C13H21FN2/c1-5-7-13(12(14)6-2)16-9-8-11(10-16)15(3)4/h5-7,11H,2,8-10H2,1,3-4H3/b7-5-,13-12-
InChIKeyHDUWXSHESQZYNB-TXTXDJJGSA-N
XLogP2.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.57
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 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine (CID 126490133) is 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine is C=C/C(F)=C(\C=C/C)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is HDUWXSHESQZYNB-TXTXDJJGSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-7-13(12(14)6-2)16-9-8-11(10-16)15(3)4/h5-7,11H,2,8-10H2,1,3-4H3/b7-5-,13-12-.
What are the key properties of 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 224.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 126490133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).