1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine

C12H19FN2 — CID 141126804

IUPAC1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2=C(F)CCC=C2)C1
InChIInChI=1S/C12H19FN2/c1-14(2)10-7-8-15(9-10)12-6-4-3-5-11(12)13/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyGOALOQLWVXZWEJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.15
Rot. Bonds2

About 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine

1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 141126804) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID141126804
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2=C(F)CCC=C2)C1
InChIInChI=1S/C12H19FN2/c1-14(2)10-7-8-15(9-10)12-6-4-3-5-11(12)13/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyGOALOQLWVXZWEJ-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine
CID 59955801
6-[(3-Fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine
CID 90305531
1-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidin-3-amine
CID 126490133
1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine
CID 146247173
1-(2-ethyl-6-fluorocyclohepta-2,4,6-trien-1-yl)-N,N-dimethylpyrrolidin-3-amine
CID 146247326
1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 163683081
4-Fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole
CID 168939762
5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-methylidene-1-propan-2-ylpyridine
CID 157754012
5-Pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine
CID 89280993
N,N-dimethyl-1-[(4-methylcyclohexa-1,2,4-trien-1-yl)methyl]pyrrolidin-3-amine
CID 123462956
1-Cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine
CID 141053442
(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
CID 141079612

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine (CID 141126804) is 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C2=C(F)CCC=C2)C1.
What is the InChIKey of 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is GOALOQLWVXZWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-14(2)10-7-8-15(9-10)12-6-4-3-5-11(12)13/h4,6,10H,3,5,7-9H2,1-2H3.
What are the key properties of 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 210.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 141126804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).