(3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine

C17H24F2N2 — CID 142341503

IUPAC(3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine
SMILESCC[C@H]1C(/C=C(\N)C2=C(F)CCC=C2F)=C(N)C(C)C1C
InChIInChI=1S/C17H24F2N2/c1-4-11-9(2)10(3)17(21)12(11)8-15(20)16-13(18)6-5-7-14(16)19/h6,8-11H,4-5,7,20-21H2,1-3H3/b15-8-/t9?,10?,11-/m1/s1
InChIKeyFFGYFONITXKAHV-PCKDRKFQSA-N
MW294.39 g/mol
LogP4.22
Rot. Bonds3

About (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine

(3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine (PubChem CID 142341503) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine.

Molecular Properties

Compound Name(3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine
PubChem CID142341503
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine
SMILESCC[C@H]1C(/C=C(\N)C2=C(F)CCC=C2F)=C(N)C(C)C1C
InChIInChI=1S/C17H24F2N2/c1-4-11-9(2)10(3)17(21)12(11)8-15(20)16-13(18)6-5-7-14(16)19/h6,8-11H,4-5,7,20-21H2,1-3H3/b15-8-/t9?,10?,11-/m1/s1
InChIKeyFFGYFONITXKAHV-PCKDRKFQSA-N
XLogP4.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine?
The IUPAC name of (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine (CID 142341503) is (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine.
What is the SMILES notation for (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine?
The canonical SMILES for (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine is CC[C@H]1C(/C=C(\N)C2=C(F)CCC=C2F)=C(N)C(C)C1C.
What is the InChIKey of (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine?
The InChIKey is FFGYFONITXKAHV-PCKDRKFQSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-4-11-9(2)10(3)17(21)12(11)8-15(20)16-13(18)6-5-7-14(16)19/h6,8-11H,4-5,7,20-21H2,1-3H3/b15-8-/t9?,10?,11-/m1/s1.
What are the key properties of (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine?
(3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine has a molecular weight of 294.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(Z)-2-amino-2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]-3-ethyl-4,5-dimethylcyclopenten-1-amine is sourced from PubChem (CID 142341503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).