1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine

C15H23FN2 — CID 166992208

IUPAC1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine
SMILESC=C(NCC1C=C(F)C=CC1)C1CC(C)CN1C
InChIInChI=1S/C15H23FN2/c1-11-7-15(18(3)10-11)12(2)17-9-13-5-4-6-14(16)8-13/h4,6,8,11,13,15,17H,2,5,7,9-10H2,1,3H3
InChIKeyTUVGVNBCBIUNEM-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.86
Rot. Bonds4

About 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine

1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine (PubChem CID 166992208) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine.

Molecular Properties

Compound Name1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine
PubChem CID166992208
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine
SMILESC=C(NCC1C=C(F)C=CC1)C1CC(C)CN1C
InChIInChI=1S/C15H23FN2/c1-11-7-15(18(3)10-11)12(2)17-9-13-5-4-6-14(16)8-13/h4,6,8,11,13,15,17H,2,5,7,9-10H2,1,3H3
InChIKeyTUVGVNBCBIUNEM-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine?
The IUPAC name of 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine (CID 166992208) is 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine.
What is the SMILES notation for 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine?
The canonical SMILES for 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine is C=C(NCC1C=C(F)C=CC1)C1CC(C)CN1C.
What is the InChIKey of 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine?
The InChIKey is TUVGVNBCBIUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-7-15(18(3)10-11)12(2)17-9-13-5-4-6-14(16)8-13/h4,6,8,11,13,15,17H,2,5,7,9-10H2,1,3H3.
What are the key properties of 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine?
1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine has a molecular weight of 250.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine is sourced from PubChem (CID 166992208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).