2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine

C13H21F2N3 — CID 114224922

IUPAC2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)c1cncn1C
InChIInChI=1S/C13H21F2N3/c1-3-17-11(12-8-16-9-18(12)2)6-10-4-5-13(14,15)7-10/h8-11,17H,3-7H2,1-2H3
InChIKeyDDQGRZXQBVKRLN-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.90
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine

2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 114224922) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID114224922
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)c1cncn1C
InChIInChI=1S/C13H21F2N3/c1-3-17-11(12-8-16-9-18(12)2)6-10-4-5-13(14,15)7-10/h8-11,17H,3-7H2,1-2H3
InChIKeyDDQGRZXQBVKRLN-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine (CID 114224922) is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine is CCNC(CC1CCC(F)(F)C1)c1cncn1C.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is DDQGRZXQBVKRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-3-17-11(12-8-16-9-18(12)2)6-10-4-5-13(14,15)7-10/h8-11,17H,3-7H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 257.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 114224922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).