1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine

C15H23FN2 — CID 146247326

IUPAC1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCC1=CC=CC(F)=CC1N1CCC(N(C)C)C1
InChIInChI=1S/C15H23FN2/c1-4-12-6-5-7-13(16)10-15(12)18-9-8-14(11-18)17(2)3/h5-7,10,14-15H,4,8-9,11H2,1-3H3
InChIKeyLISHHLMACMOCAO-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.75
Rot. Bonds3

About 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine

1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 146247326) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID146247326
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCC1=CC=CC(F)=CC1N1CCC(N(C)C)C1
InChIInChI=1S/C15H23FN2/c1-4-12-6-5-7-13(16)10-15(12)18-9-8-14(11-18)17(2)3/h5-7,10,14-15H,4,8-9,11H2,1-3H3
InChIKeyLISHHLMACMOCAO-UHFFFAOYSA-N
XLogP2.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine (CID 146247326) is 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine is CCC1=CC=CC(F)=CC1N1CCC(N(C)C)C1.
What is the InChIKey of 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LISHHLMACMOCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-12-6-5-7-13(16)10-15(12)18-9-8-14(11-18)17(2)3/h5-7,10,14-15H,4,8-9,11H2,1-3H3.
What are the key properties of 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 250.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 146247326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).